2-[2-[[2-[2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[2-[[2-[2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 5-guanidino-2-[[2-[[2-[[2-[[3-hydroxy-2-[[3-hydroxy-2-(phenylalanylamino)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]valeric acid Formula: C34H48N10O11 MolecularWeight: 772.80532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O)N

InChI

InChI=1S/C34H48N10O11/c35-22(13-19-5-2-1-3-6-19)29(50)43-26(18-46)32(53)44-25(17-45)31(52)40-16-28(49)42-24(14-20-8-10-21(47)11-9-20)30(51)39-15-27(48)41-23(33(54)55)7-4-12-38-34(36)37/h1-3,5-6,8-11,22-26,45-47H,4,7,12-18,35H2,(H,39,51)(H,40,52)(H,41,48)(H,42,49)(H,43,50)(H,44,53)(H,54,55)(H4,36,37,38)