(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-[2-[ethyl-[2-(4-nitrophenyl)ethyl]amino]ethyl]pentanamide; ethanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]-N-[2-[ethyl-[2-(4-nitrophenyl)ethyl]amino]ethyl]pentanamide; ethanoic acid Openeye Name: acetic acid; (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[ethyl-[2-(4-nitrophenyl)ethyl]amino]ethyl]-5-guanidino-pentanamide CAS Name: acetic acid; (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-N-[2-[ethyl-[2-(4-nitrophenyl)ethyl]amino]ethyl]pentanamide IUPAC Name: acetic acid; (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)-N-[2-[ethyl-[2-(4-nitrophenyl)ethyl]amino]ethyl]pentanamide Traditional Name: acetic acid; (2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[ethyl-[2-(4-nitrophenyl)ethyl]amino]ethyl]-5-guanidino-valeramide Formula: C29H44N8O7 MolecularWeight: 616.70906

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=C(C=C1)[N+](=O)[O-])CCNC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)N.CC(=O)O

Isomeric SMILES

CCN(CCC1=CC=C(C=C1)[N+](=O)[O-])CCNC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N.CC(=O)O

InChI

InChI=1S/C27H40N8O5.C2H4O2/c1-2-34(16-13-19-5-9-21(10-6-19)35(39)40)17-15-31-26(38)24(4-3-14-32-27(29)30)33-25(37)23(28)18-20-7-11-22(36)12-8-20;1-2(3)4/h5-12,23-24,36H,2-4,13-18,28H2,1H3,(H,31,38)(H,33,37)(H4,29,30,32);1H3,(H,3,4)/t23-,24+;/m0./s1