(2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide

C168H250N34O26 — CID 158321760

About (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide

(2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide (PubChem CID 158321760) has the molecular formula C168H250N34O26 and a molecular weight of 3162.06 g/mol. Its IUPAC name is (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide.

Molecular Properties

• Compound Name: (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide
• PubChem CID: 158321760
• Molecular Formula: C168H250N34O26
• Molecular Weight: 3162.06 g/mol
• Exact Mass: 3159.93
• IUPAC Name: (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide
• SMILES: CC(=O)COCCCC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1.CC(=O)[C@H](CCCN=C(N)N)CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12.CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2[nH]ccc12.CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12.CC[C@H](C)[C@H](CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(C)=O
• InChI: InChI=1S/C38H57N9O5.C38H56N6O5.C32H50N6O8.C31H44N6O4.C29H43N7O4/c1-25(48)27(14-7-19-44-37(40)41)22-33(49)31(16-8-20-45-38(42)43)46-36(52)29(11-4-5-18-39)23-34(50)32-17-9-21-47(32)35(51)24-28-13-6-12-26-10-2-3-15-30(26)28;1-4-25(2)31(26(3)45)24-34(46)32(17-10-20-42-38(40)41)43-37(49)29(13-7-8-19-39)22-35(47)33-18-11-21-44(33)36(48)23-28-15-9-14-27-12-5-6-16-30(27)28;1-21(39)20-46-16-6-10-26(40)24(8-4-14-36-32(34)35)37-31(45)23(7-2-3-13-33)19-28(42)25-9-5-15-38(25)30(44)18-22-11-12-27(41)29(43)17-22;1-21(38)26(14-7-17-35-31(33)34)36-30(41)24(10-4-5-16-32)19-28(39)27-15-8-18-37(27)29(40)20-23-12-6-11-22-9-2-3-13-25(22)23;1-19(37)23(10-5-14-34-29(31)32)35-28(40)21(7-2-3-13-30)17-26(38)25-11-6-16-36(25)27(39)18-20-8-4-9-24-22(20)12-15-33-24/h2-3,6,10,12-13,15,27,29,31-32H,4-5,7-9,11,14,16-24,39H2,1H3,(H,46,52)(H4,40,41,44)(H4,42,43,45);5-6,9,12,14-16,25,29,31-33H,4,7-8,10-11,13,17-24,39H2,1-3H3,(H,43,49)(H4,40,41,42);11-12,17,23-25,41,43H,2-10,13-16,18-20,33H2,1H3,(H,37,45)(H4,34,35,36);2-3,6,9,11-13,24,26-27H,4-5,7-8,10,14-20,32H2,1H3,(H,36,41)(H4,33,34,35);4,8-9,12,15,21,23,25,33H,2-3,5-7,10-11,13-14,16-18,30H2,1H3,(H,35,40)(H4,31,32,34)/t27-,29-,31+,32+;25-,29+,31-,32-,33-;23-,24+,25+;24-,26+,27+;21-,23+,25+/m10111/s1
• InChIKey: GOXYPNULBSHHGK-FMAYZDHMSA-N
• XLogP: 10.23
• TPSA: 1050.94 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 37
• Rotatable Bonds: 98
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3162.06
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide?

The IUPAC name of (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide (CID 158321760) is (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide.

What is the SMILES notation for (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide?

The canonical SMILES for (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide is CC(=O)COCCCC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1.CC(=O)[C@H](CCCN=C(N)N)CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12.CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2[nH]ccc12.CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12.CC[C@H](C)[C@H](CC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)CC(=O)[C@@H]1CCCN1C(=O)Cc1cccc2ccccc12)C(C)=O.

What is the InChIKey of (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide?

The InChIKey is GOXYPNULBSHHGK-FMAYZDHMSA-N. The full InChI is InChI=1S/C38H57N9O5.C38H56N6O5.C32H50N6O8.C31H44N6O4.C29H43N7O4/c1-25(48)27(14-7-19-44-37(40)41)22-33(49)31(16-8-20-45-38(42)43)46-36(52)29(11-4-5-18-39)23-34(50)32-17-9-21-47(32)35(51)24-28-13-6-12-26-10-2-3-15-30(26)28;1-4-25(2)31(26(3)45)24-34(46)32(17-10-20-42-38(40)41)43-37(49)29(13-7-8-19-39)22-35(47)33-18-11-21-44(33)36(48)23-28-15-9-14-27-12-5-6-16-30(27)28;1-21(39)20-46-16-6-10-26(40)24(8-4-14-36-32(34)35)37-31(45)23(7-2-3-13-33)19-28(42)25-9-5-15-38(25)30(44)18-22-11-12-27(41)29(43)17-22;1-21(38)26(14-7-17-35-31(33)34)36-30(41)24(10-4-5-16-32)19-28(39)27-15-8-18-37(27)29(40)20-23-12-6-11-22-9-2-3-13-25(22)23;1-19(37)23(10-5-14-34-29(31)32)35-28(40)21(7-2-3-13-30)17-26(38)25-11-6-16-36(25)27(39)18-20-8-4-9-24-22(20)12-15-33-24/h2-3,6,10,12-13,15,27,29,31-32H,4-5,7-9,11,14,16-24,39H2,1H3,(H,46,52)(H4,40,41,44)(H4,42,43,45);5-6,9,12,14-16,25,29,31-33H,4,7-8,10-11,13,17-24,39H2,1-3H3,(H,43,49)(H4,40,41,42);11-12,17,23-25,41,43H,2-10,13-16,18-20,33H2,1H3,(H,37,45)(H4,34,35,36);2-3,6,9,11-13,24,26-27H,4-5,7-8,10,14-20,32H2,1H3,(H,36,41)(H4,33,34,35);4,8-9,12,15,21,23,25,33H,2-3,5-7,10-11,13-14,16-18,30H2,1H3,(H,35,40)(H4,31,32,34)/t27-,29-,31+,32+;25-,29+,31-,32-,33-;23-,24+,25+;24-,26+,27+;21-,23+,25+/m10111/s1.

What are the key properties of (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide?

(2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide has a molecular weight of 3162.06 g/mol, XLogP of 10.23, 98 rotatable bonds, 25 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(4S,7R)-7-acetyl-1,10-bis(diaminomethylideneamino)-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-N-[(4S,7S,8S)-7-acetyl-1-(diaminomethylideneamino)-8-methyl-5-oxodecan-4-yl]-6-amino-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-[2-(1H-indol-4-yl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(3S)-6-(diaminomethylideneamino)-2-oxohexan-3-yl]-2-[2-[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidin-2-yl]-2-oxoethyl]hexanamide;(2R)-6-amino-N-[(4S)-1-(diaminomethylideneamino)-5-oxo-8-(2-oxopropoxy)octan-4-yl]-2-[2-[(2S)-1-[2-(3,4-dihydroxyphenyl)acetyl]pyrrolidin-2-yl]-2-oxoethyl]hexanamide is sourced from PubChem (CID 158321760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).