6-azanyl-2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-[[6-azanyl-2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoic acid Formula: C48H78N10O8 MolecularWeight: 923.19512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H78N10O8/c1-31(2)27-38(56-46(63)40(29-33-17-7-5-8-18-33)55-42(59)35(52)21-11-14-24-49)44(61)53-36(22-12-15-25-50)43(60)58-41(30-34-19-9-6-10-20-34)47(64)57-39(28-32(3)4)45(62)54-37(48(65)66)23-13-16-26-51/h5-10,17-20,31-32,35-41H,11-16,21-30,49-52H2,1-4H3,(H,53,61)(H,54,62)(H,55,59)(H,56,63)(H,57,64)(H,58,60)(H,65,66)