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

Systemtic Name: 2-[[2-[[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid Formula: C37H55N7O7 MolecularWeight: 709.8753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C37H55N7O7/c1-22(2)30(44-36(49)31(23(3)4)43-32(45)27(39)18-12-13-19-38)35(48)42-29(21-26-16-10-7-11-17-26)34(47)41-28(20-25-14-8-6-9-15-25)33(46)40-24(5)37(50)51/h6-11,14-17,22-24,27-31H,12-13,18-21,38-39H2,1-5H3,(H,40,46)(H,41,47)(H,42,48)(H,43,45)(H,44,49)(H,50,51)