2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-3-sulfanyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-3-sulfanyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[6-amino-2-[(2-amino-3-mercapto-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-mercapto-propionic acid Formula: C39H68N10O8S2 MolecularWeight: 869.14942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C(CS)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C(CS)N

InChI

InChI=1S/C39H68N10O8S2/c1-24(2)20-30(37(54)46-28(15-7-10-18-41)34(51)45-29(16-8-11-19-42)36(53)49-32(23-59)39(56)57)47-38(55)31(21-25-12-4-3-5-13-25)48-35(52)27(14-6-9-17-40)44-33(50)26(43)22-58/h3-5,12-13,24,26-32,58-59H,6-11,14-23,40-43H2,1-2H3,(H,44,50)(H,45,51)(H,46,54)(H,47,55)(H,48,52)(H,49,53)(H,56,57)