2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid

C209H334N90O42 — CID 158951914

IUPAC2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid
SMILESCC(=O)C1CCCN1C(=O)N[C@@H](CCC(=O)O)c1nc([C@@H](N)CCC(=O)O)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc(CN)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CC(=O)O)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CC(N)=O)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CCCCN)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CCCN=C(N)N)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)Cc2c[nH]c3ccccc23)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)Cc2ccccc2)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)Cc2cnc[nH]2)no1.CC(=O)[C@@H]1CCCN1C(=O)N[C@@H](Cc1ccccc1)c1nc([C@@H](N)CCC(=O)O)no1.CCC(C)[C@H](N)c1noc([C@H](CCCN=C(N)N)NC(=O)N2CCCC2C(C)=O)n1
InChIInChI=1S/C24H33N9O3.C22H32N8O3.C21H27N5O5.C19H35N11O3.C19H30N10O3.C19H35N9O3.C19H34N8O3.C17H29N9O4.C17H28N8O5.C17H25N5O7.C15H26N8O3/c1-14(34)20-9-5-11-33(20)24(35)30-19(8-4-10-28-23(26)27)22-31-21(32-36-22)17(25)12-15-13-29-18-7-3-2-6-16(15)18;1-14(31)18-10-6-12-30(18)22(32)27-17(9-5-11-26-21(24)25)20-28-19(29-33-20)16(23)13-15-7-3-2-4-8-15;1-13(27)17-8-5-11-26(17)21(30)23-16(12-14-6-3-2-4-7-14)20-24-19(25-31-20)15(22)9-10-18(28)29;1-11(31)14-7-4-10-30(14)19(32)27-13(6-3-9-26-18(23)24)16-28-15(29-33-16)12(20)5-2-8-25-17(21)22;1-11(30)15-5-3-7-29(15)19(31)26-14(4-2-6-24-18(21)22)17-27-16(28-32-17)13(20)8-12-9-23-10-25-12;1-12(29)15-8-5-11-28(15)19(30)25-14(7-4-10-24-18(22)23)17-26-16(27-31-17)13(21)6-2-3-9-20;1-4-11(2)15(20)16-25-17(30-26-16)13(7-5-9-23-18(21)22)24-19(29)27-10-6-8-14(27)12(3)28;1-9(27)12-5-3-7-26(12)17(29)23-11(4-2-6-22-16(20)21)15-24-14(25-30-15)10(18)8-13(19)28;1-9(26)12-5-3-7-25(12)17(29)22-11(4-2-6-21-16(19)20)15-23-14(24-30-15)10(18)8-13(27)28;1-9(23)12-3-2-8-22(12)17(28)19-11(5-7-14(26)27)16-20-15(21-29-16)10(18)4-6-13(24)25;1-9(24)11-5-3-7-23(11)15(25)20-10(4-2-6-19-14(17)18)13-21-12(8-16)22-26-13/h2-3,6-7,13,17,19-20,29H,4-5,8-12,25H2,1H3,(H,30,35)(H4,26,27,28);2-4,7-8,16-18H,5-6,9-13,23H2,1H3,(H,27,32)(H4,24,25,26);2-4,6-7,15-17H,5,8-12,22H2,1H3,(H,23,30)(H,28,29);12-14H,2-10,20H2,1H3,(H,27,32)(H4,21,22,25)(H4,23,24,26);9-10,13-15H,2-8,20H2,1H3,(H,23,25)(H,26,31)(H4,21,22,24);13-15H,2-11,20-21H2,1H3,(H,25,30)(H4,22,23,24);11,13-15H,4-10,20H2,1-3H3,(H,24,29)(H4,21,22,23);10-12H,2-8,18H2,1H3,(H2,19,28)(H,23,29)(H4,20,21,22);10-12H,2-8,18H2,1H3,(H,22,29)(H,27,28)(H4,19,20,21);10-12H,2-8,18H2,1H3,(H,19,28)(H,24,25)(H,26,27);10-11H,2-8,16H2,1H3,(H,20,25)(H4,17,18,19)/t17-,19-,20?;16-,17-,18?;15-,16-,17-;12-,13-,14?;2*13-,14-,15?;11?,13-,14?,15-;3*10-,11-,12?;10-,11?/m00000000000/s1
InChIKeyJLNOXXPYCZRSHJ-SVUNOZQISA-N
MW4779.56 g/mol
LogP2.90
Rot. Bonds111

About 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid

2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid (PubChem CID 158951914) has the molecular formula C209H334N90O42 and a molecular weight of 4779.56 g/mol. Its IUPAC name is 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid.

Molecular Properties

Compound Name2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid
PubChem CID158951914
Molecular FormulaC209H334N90O42
Molecular Weight4779.56 g/mol
Exact Mass4776.68
IUPAC Name2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid
SMILESCC(=O)C1CCCN1C(=O)N[C@@H](CCC(=O)O)c1nc([C@@H](N)CCC(=O)O)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc(CN)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CC(=O)O)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CC(N)=O)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CCCCN)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CCCN=C(N)N)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)Cc2c[nH]c3ccccc23)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)Cc2ccccc2)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)Cc2cnc[nH]2)no1.CC(=O)[C@@H]1CCCN1C(=O)N[C@@H](Cc1ccccc1)c1nc([C@@H](N)CCC(=O)O)no1.CCC(C)[C@H](N)c1noc([C@H](CCCN=C(N)N)NC(=O)N2CCCC2C(C)=O)n1
InChIInChI=1S/C24H33N9O3.C22H32N8O3.C21H27N5O5.C19H35N11O3.C19H30N10O3.C19H35N9O3.C19H34N8O3.C17H29N9O4.C17H28N8O5.C17H25N5O7.C15H26N8O3/c1-14(34)20-9-5-11-33(20)24(35)30-19(8-4-10-28-23(26)27)22-31-21(32-36-22)17(25)12-15-13-29-18-7-3-2-6-16(15)18;1-14(31)18-10-6-12-30(18)22(32)27-17(9-5-11-26-21(24)25)20-28-19(29-33-20)16(23)13-15-7-3-2-4-8-15;1-13(27)17-8-5-11-26(17)21(30)23-16(12-14-6-3-2-4-7-14)20-24-19(25-31-20)15(22)9-10-18(28)29;1-11(31)14-7-4-10-30(14)19(32)27-13(6-3-9-26-18(23)24)16-28-15(29-33-16)12(20)5-2-8-25-17(21)22;1-11(30)15-5-3-7-29(15)19(31)26-14(4-2-6-24-18(21)22)17-27-16(28-32-17)13(20)8-12-9-23-10-25-12;1-12(29)15-8-5-11-28(15)19(30)25-14(7-4-10-24-18(22)23)17-26-16(27-31-17)13(21)6-2-3-9-20;1-4-11(2)15(20)16-25-17(30-26-16)13(7-5-9-23-18(21)22)24-19(29)27-10-6-8-14(27)12(3)28;1-9(27)12-5-3-7-26(12)17(29)23-11(4-2-6-22-16(20)21)15-24-14(25-30-15)10(18)8-13(19)28;1-9(26)12-5-3-7-25(12)17(29)22-11(4-2-6-21-16(19)20)15-23-14(24-30-15)10(18)8-13(27)28;1-9(23)12-3-2-8-22(12)17(28)19-11(5-7-14(26)27)16-20-15(21-29-16)10(18)4-6-13(24)25;1-9(24)11-5-3-7-23(11)15(25)20-10(4-2-6-19-14(17)18)13-21-12(8-16)22-26-13/h2-3,6-7,13,17,19-20,29H,4-5,8-12,25H2,1H3,(H,30,35)(H4,26,27,28);2-4,7-8,16-18H,5-6,9-13,23H2,1H3,(H,27,32)(H4,24,25,26);2-4,6-7,15-17H,5,8-12,22H2,1H3,(H,23,30)(H,28,29);12-14H,2-10,20H2,1H3,(H,27,32)(H4,21,22,25)(H4,23,24,26);9-10,13-15H,2-8,20H2,1H3,(H,23,25)(H,26,31)(H4,21,22,24);13-15H,2-11,20-21H2,1H3,(H,25,30)(H4,22,23,24);11,13-15H,4-10,20H2,1-3H3,(H,24,29)(H4,21,22,23);10-12H,2-8,18H2,1H3,(H2,19,28)(H,23,29)(H4,20,21,22);10-12H,2-8,18H2,1H3,(H,22,29)(H,27,28)(H4,19,20,21);10-12H,2-8,18H2,1H3,(H,19,28)(H,24,25)(H,26,27);10-11H,2-8,16H2,1H3,(H,20,25)(H4,17,18,19)/t17-,19-,20?;16-,17-,18?;15-,16-,17-;12-,13-,14?;2*13-,14-,15?;11?,13-,14?,15-;3*10-,11-,12?;10-,11?/m00000000000/s1
InChIKeyJLNOXXPYCZRSHJ-SVUNOZQISA-N
XLogP2.90
TPSA2164.63 Ų
H-Bond Donors50
H-Bond Acceptors83
Rotatable Bonds111
Heavy Atoms341
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004779.56
LogP ≤ 52.90
H-Bond Donors ≤ 550
H-Bond Acceptors ≤ 1083

Analyze 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid?
The IUPAC name of 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid (CID 158951914) is 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid.
What is the SMILES notation for 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid?
The canonical SMILES for 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid is CC(=O)C1CCCN1C(=O)N[C@@H](CCC(=O)O)c1nc([C@@H](N)CCC(=O)O)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc(CN)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CC(=O)O)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CC(N)=O)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CCCCN)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)CCCN=C(N)N)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)Cc2c[nH]c3ccccc23)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)Cc2ccccc2)no1.CC(=O)C1CCCN1C(=O)N[C@@H](CCCN=C(N)N)c1nc([C@@H](N)Cc2cnc[nH]2)no1.CC(=O)[C@@H]1CCCN1C(=O)N[C@@H](Cc1ccccc1)c1nc([C@@H](N)CCC(=O)O)no1.CCC(C)[C@H](N)c1noc([C@H](CCCN=C(N)N)NC(=O)N2CCCC2C(C)=O)n1.
What is the InChIKey of 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid?
The InChIKey is JLNOXXPYCZRSHJ-SVUNOZQISA-N. The full InChI is InChI=1S/C24H33N9O3.C22H32N8O3.C21H27N5O5.C19H35N11O3.C19H30N10O3.C19H35N9O3.C19H34N8O3.C17H29N9O4.C17H28N8O5.C17H25N5O7.C15H26N8O3/c1-14(34)20-9-5-11-33(20)24(35)30-19(8-4-10-28-23(26)27)22-31-21(32-36-22)17(25)12-15-13-29-18-7-3-2-6-16(15)18;1-14(31)18-10-6-12-30(18)22(32)27-17(9-5-11-26-21(24)25)20-28-19(29-33-20)16(23)13-15-7-3-2-4-8-15;1-13(27)17-8-5-11-26(17)21(30)23-16(12-14-6-3-2-4-7-14)20-24-19(25-31-20)15(22)9-10-18(28)29;1-11(31)14-7-4-10-30(14)19(32)27-13(6-3-9-26-18(23)24)16-28-15(29-33-16)12(20)5-2-8-25-17(21)22;1-11(30)15-5-3-7-29(15)19(31)26-14(4-2-6-24-18(21)22)17-27-16(28-32-17)13(20)8-12-9-23-10-25-12;1-12(29)15-8-5-11-28(15)19(30)25-14(7-4-10-24-18(22)23)17-26-16(27-31-17)13(21)6-2-3-9-20;1-4-11(2)15(20)16-25-17(30-26-16)13(7-5-9-23-18(21)22)24-19(29)27-10-6-8-14(27)12(3)28;1-9(27)12-5-3-7-26(12)17(29)23-11(4-2-6-22-16(20)21)15-24-14(25-30-15)10(18)8-13(19)28;1-9(26)12-5-3-7-25(12)17(29)22-11(4-2-6-21-16(19)20)15-23-14(24-30-15)10(18)8-13(27)28;1-9(23)12-3-2-8-22(12)17(28)19-11(5-7-14(26)27)16-20-15(21-29-16)10(18)4-6-13(24)25;1-9(24)11-5-3-7-23(11)15(25)20-10(4-2-6-19-14(17)18)13-21-12(8-16)22-26-13/h2-3,6-7,13,17,19-20,29H,4-5,8-12,25H2,1H3,(H,30,35)(H4,26,27,28);2-4,7-8,16-18H,5-6,9-13,23H2,1H3,(H,27,32)(H4,24,25,26);2-4,6-7,15-17H,5,8-12,22H2,1H3,(H,23,30)(H,28,29);12-14H,2-10,20H2,1H3,(H,27,32)(H4,21,22,25)(H4,23,24,26);9-10,13-15H,2-8,20H2,1H3,(H,23,25)(H,26,31)(H4,21,22,24);13-15H,2-11,20-21H2,1H3,(H,25,30)(H4,22,23,24);11,13-15H,4-10,20H2,1-3H3,(H,24,29)(H4,21,22,23);10-12H,2-8,18H2,1H3,(H2,19,28)(H,23,29)(H4,20,21,22);10-12H,2-8,18H2,1H3,(H,22,29)(H,27,28)(H4,19,20,21);10-12H,2-8,18H2,1H3,(H,19,28)(H,24,25)(H,26,27);10-11H,2-8,16H2,1H3,(H,20,25)(H4,17,18,19)/t17-,19-,20?;16-,17-,18?;15-,16-,17-;12-,13-,14?;2*13-,14-,15?;11?,13-,14?,15-;3*10-,11-,12?;10-,11?/m00000000000/s1.
What are the key properties of 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid?
2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid has a molecular weight of 4779.56 g/mol, XLogP of 2.90, 111 rotatable bonds, 50 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-1-[3-[(1S)-1-amino-2-phenylethyl]-1,2,4-oxadiazol-5-yl]-4-(diaminomethylideneamino)butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,3-diamino-3-oxopropyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;2-acetyl-N-[(1S)-4-(diaminomethylideneamino)-1-[3-[(1S)-1,5-diaminopentyl]-1,2,4-oxadiazol-5-yl]butyl]pyrrolidine-1-carboxamide;(4S)-4-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-3-carboxypropyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid;(3S)-3-[5-[(1S)-1-[(2-acetylpyrrolidine-1-carbonyl)amino]-4-(diaminomethylideneamino)butyl]-1,2,4-oxadiazol-3-yl]-3-aminopropanoic acid;(4S)-4-[5-[(1S)-1-[[(2S)-2-acetylpyrrolidine-1-carbonyl]amino]-2-phenylethyl]-1,2,4-oxadiazol-3-yl]-4-aminobutanoic acid is sourced from PubChem (CID 158951914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).