2-[[2-[[2-[[2-[2-[[2-[2-[[6-azanyl-2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[2-[[2-[2-[[6-azanyl-2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-oxidanyl-butanoyl]amino]hexanoyl]amino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-hydroxy-butanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)-3-hydroxy-butanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C55H80N12O13 MolecularWeight: 1117.2963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C55H80N12O13/c1-33(2)46(53(77)65-42(55(79)80)29-37-21-11-6-12-22-37)66-52(76)41(28-36-19-9-5-10-20-36)64-51(75)40(27-35-17-7-4-8-18-35)61-44(70)30-60-50(74)43(32-68)62-45(71)31-59-49(73)39(24-14-16-26-57)63-54(78)47(34(3)69)67-48(72)38(58)23-13-15-25-56/h4-12,17-22,33-34,38-43,46-47,68-69H,13-16,23-32,56-58H2,1-3H3,(H,59,73)(H,60,74)(H,61,70)(H,62,71)(H,63,78)(H,64,75)(H,65,77)(H,66,76)(H,67,72)(H,79,80)