1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide

C166H250N46O14S8 — CID 157160555

IUPAC1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide
SMILESCC(C)(C)c1cc(N)c(SCCN)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(N)c3SCCN)c2)c1.CC(C)(C)c1cc(NC(=O)CCCCN=C(N)N)c(SCCN=C(N)N)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)CCCCN=C(N)N)c3SCCN=C(N)N)c2)c1.CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@@H](N)CCCCN)c3SCCN)c2)c(SCCN)c(NC(=O)[C@@H](N)CCCCN)c1.CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@@H](N)CCCN=C(N)N)c3SCCN)c2)c(SCCN)c(NC(=O)[C@@H](N)CCCN=C(N)N)c1
InChIInChI=1S/C46H70N16O4S2.C44H68N14O4S2.C44H68N10O4S2.C32H44N6O2S2/c1-45(2,3)29-23-31(59-35(63)14-7-9-16-55-41(47)48)37(67-20-18-57-43(51)52)33(25-29)61-39(65)27-12-11-13-28(22-27)40(66)62-34-26-30(46(4,5)6)24-32(38(34)68-21-19-58-44(53)54)60-36(64)15-8-10-17-56-42(49)50;1-43(2,3)27-21-31(35(63-18-14-45)33(23-27)57-39(61)29(47)12-8-16-53-41(49)50)55-37(59)25-10-7-11-26(20-25)38(60)56-32-22-28(44(4,5)6)24-34(36(32)64-19-15-46)58-40(62)30(48)13-9-17-54-42(51)52;1-43(2,3)29-23-33(37(59-20-18-47)35(25-29)53-41(57)31(49)14-7-9-16-45)51-39(55)27-12-11-13-28(22-27)40(56)52-34-24-30(44(4,5)6)26-36(38(34)60-21-19-48)54-42(58)32(50)15-8-10-17-46;1-31(2,3)21-15-23(35)27(41-12-10-33)25(17-21)37-29(39)19-8-7-9-20(14-19)30(40)38-26-18-22(32(4,5)6)16-24(36)28(26)42-13-11-34/h11-13,22-26H,7-10,14-21H2,1-6H3,(H,59,63)(H,60,64)(H,61,65)(H,62,66)(H4,47,48,55)(H4,49,50,56)(H4,51,52,57)(H4,53,54,58);7,10-11,20-24,29-30H,8-9,12-19,45-48H2,1-6H3,(H,55,59)(H,56,60)(H,57,61)(H,58,62)(H4,49,50,53)(H4,51,52,54);11-13,22-26,31-32H,7-10,14-21,45-50H2,1-6H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58);7-9,14-18H,10-13,33-36H2,1-6H3,(H,37,39)(H,38,40)/t;29-,30-;31-,32-;/m.00./s1
InChIKeyAMHZDWSWUPTFEE-YREWDQLOSA-N
MW3370.67 g/mol
LogP19.54
Rot. Bonds78

About 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide

1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide (PubChem CID 157160555) has the molecular formula C166H250N46O14S8 and a molecular weight of 3370.67 g/mol. Its IUPAC name is 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide
PubChem CID157160555
Molecular FormulaC166H250N46O14S8
Molecular Weight3370.67 g/mol
Exact Mass3367.80
IUPAC Name1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide
SMILESCC(C)(C)c1cc(N)c(SCCN)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(N)c3SCCN)c2)c1.CC(C)(C)c1cc(NC(=O)CCCCN=C(N)N)c(SCCN=C(N)N)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)CCCCN=C(N)N)c3SCCN=C(N)N)c2)c1.CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@@H](N)CCCCN)c3SCCN)c2)c(SCCN)c(NC(=O)[C@@H](N)CCCCN)c1.CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@@H](N)CCCN=C(N)N)c3SCCN)c2)c(SCCN)c(NC(=O)[C@@H](N)CCCN=C(N)N)c1
InChIInChI=1S/C46H70N16O4S2.C44H68N14O4S2.C44H68N10O4S2.C32H44N6O2S2/c1-45(2,3)29-23-31(59-35(63)14-7-9-16-55-41(47)48)37(67-20-18-57-43(51)52)33(25-29)61-39(65)27-12-11-13-28(22-27)40(66)62-34-26-30(46(4,5)6)24-32(38(34)68-21-19-58-44(53)54)60-36(64)15-8-10-17-56-42(49)50;1-43(2,3)27-21-31(35(63-18-14-45)33(23-27)57-39(61)29(47)12-8-16-53-41(49)50)55-37(59)25-10-7-11-26(20-25)38(60)56-32-22-28(44(4,5)6)24-34(36(32)64-19-15-46)58-40(62)30(48)13-9-17-54-42(51)52;1-43(2,3)29-23-33(37(59-20-18-47)35(25-29)53-41(57)31(49)14-7-9-16-45)51-39(55)27-12-11-13-28(22-27)40(56)52-34-24-30(44(4,5)6)26-36(38(34)60-21-19-48)54-42(58)32(50)15-8-10-17-46;1-31(2,3)21-15-23(35)27(41-12-10-33)25(17-21)37-29(39)19-8-7-9-20(14-19)30(40)38-26-18-22(32(4,5)6)16-24(36)28(26)42-13-11-34/h11-13,22-26H,7-10,14-21H2,1-6H3,(H,59,63)(H,60,64)(H,61,65)(H,62,66)(H4,47,48,55)(H4,49,50,56)(H4,51,52,57)(H4,53,54,58);7,10-11,20-24,29-30H,8-9,12-19,45-48H2,1-6H3,(H,55,59)(H,56,60)(H,57,61)(H,58,62)(H4,49,50,53)(H4,51,52,54);11-13,22-26,31-32H,7-10,14-21,45-50H2,1-6H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58);7-9,14-18H,10-13,33-36H2,1-6H3,(H,37,39)(H,38,40)/t;29-,30-;31-,32-;/m.00./s1
InChIKeyAMHZDWSWUPTFEE-YREWDQLOSA-N
XLogP19.54
TPSA1158.08 Ų
H-Bond Donors40
H-Bond Acceptors42
Rotatable Bonds78
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003370.67
LogP ≤ 519.54
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

1-N,3-N-bis[2-(2-aminoethylsulfanyl)-3-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-tert-butylphenyl]benzene-1,3-dicarboxamide
CID 11722157
1-N,3-N-bis[2-(2-aminoethylsulfanyl)-3-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]phenyl]benzene-1,3-dicarboxamide
CID 44413068
1-N,3-N-bis[3-(4-aminobutanoylamino)-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide
CID 11216505
1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide
CID 11320532
1-N,3-N-bis[2-(2-aminoethylsulfanyl)-3-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-tert-butylphenyl]benzene-1,3-dicarboxamide
CID 11700848
1-N,3-N-bis[2-(2-aminoethylsulfanyl)-3-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]phenyl]benzene-1,3-dicarboxamide
CID 44412942
1-N-[3-amino-2-(2-aminoethylsulfanyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]phenyl]benzene-1,3-dicarboxamide
CID 44412943
1-N,3-N-bis[2-(2-aminoethylsulfanyl)-3-[[(2R)-2-aminopropanoyl]amino]-5-tert-butylphenyl]benzene-1,3-dicarboxamide
CID 44412949
1-N,3-N-bis[3-[(2-aminoacetyl)amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide
CID 44412950
1-N-[3-amino-2-(2-aminoethylsulfanyl)phenyl]-3-N-[2-(2-aminoethylsulfanyl)-3-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]phenyl]benzene-1,3-dicarboxamide
CID 44413069
3-N-[3-[(3-acetylbenzoyl)amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]-1-N-[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide
CID 172459127
1-N,3-N-bis[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]-5-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 24856961

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide (CID 157160555) is 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide is CC(C)(C)c1cc(N)c(SCCN)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(N)c3SCCN)c2)c1.CC(C)(C)c1cc(NC(=O)CCCCN=C(N)N)c(SCCN=C(N)N)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)CCCCN=C(N)N)c3SCCN=C(N)N)c2)c1.CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@@H](N)CCCCN)c3SCCN)c2)c(SCCN)c(NC(=O)[C@@H](N)CCCCN)c1.CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@@H](N)CCCN=C(N)N)c3SCCN)c2)c(SCCN)c(NC(=O)[C@@H](N)CCCN=C(N)N)c1.
What is the InChIKey of 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide?
The InChIKey is AMHZDWSWUPTFEE-YREWDQLOSA-N. The full InChI is InChI=1S/C46H70N16O4S2.C44H68N14O4S2.C44H68N10O4S2.C32H44N6O2S2/c1-45(2,3)29-23-31(59-35(63)14-7-9-16-55-41(47)48)37(67-20-18-57-43(51)52)33(25-29)61-39(65)27-12-11-13-28(22-27)40(66)62-34-26-30(46(4,5)6)24-32(38(34)68-21-19-58-44(53)54)60-36(64)15-8-10-17-56-42(49)50;1-43(2,3)27-21-31(35(63-18-14-45)33(23-27)57-39(61)29(47)12-8-16-53-41(49)50)55-37(59)25-10-7-11-26(20-25)38(60)56-32-22-28(44(4,5)6)24-34(36(32)64-19-15-46)58-40(62)30(48)13-9-17-54-42(51)52;1-43(2,3)29-23-33(37(59-20-18-47)35(25-29)53-41(57)31(49)14-7-9-16-45)51-39(55)27-12-11-13-28(22-27)40(56)52-34-24-30(44(4,5)6)26-36(38(34)60-21-19-48)54-42(58)32(50)15-8-10-17-46;1-31(2,3)21-15-23(35)27(41-12-10-33)25(17-21)37-29(39)19-8-7-9-20(14-19)30(40)38-26-18-22(32(4,5)6)16-24(36)28(26)42-13-11-34/h11-13,22-26H,7-10,14-21H2,1-6H3,(H,59,63)(H,60,64)(H,61,65)(H,62,66)(H4,47,48,55)(H4,49,50,56)(H4,51,52,57)(H4,53,54,58);7,10-11,20-24,29-30H,8-9,12-19,45-48H2,1-6H3,(H,55,59)(H,56,60)(H,57,61)(H,58,62)(H4,49,50,53)(H4,51,52,54);11-13,22-26,31-32H,7-10,14-21,45-50H2,1-6H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58);7-9,14-18H,10-13,33-36H2,1-6H3,(H,37,39)(H,38,40)/t;29-,30-;31-,32-;/m.00./s1.
What are the key properties of 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide?
1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide has a molecular weight of 3370.67 g/mol, XLogP of 19.54, 78 rotatable bonds, 40 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[3-amino-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-(2-aminoethylsulfanyl)-5-tert-butylphenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[2-(2-aminoethylsulfanyl)-5-tert-butyl-3-[[(2S)-2,6-diaminohexanoyl]amino]phenyl]benzene-1,3-dicarboxamide;1-N,3-N-bis[5-tert-butyl-2-[2-(diaminomethylideneamino)ethylsulfanyl]-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 157160555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).