6-azanyl-N-[1-[[1-[(1-azanyl-1-oxidanylidene-propan-2-yl)-naphthalen-1-yl-amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

Systemtic Name: 6-azanyl-N-[1-[[1-[(1-azanyl-1-oxidanylidene-propan-2-yl)-naphthalen-1-yl-amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[2-[[2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Openeye Name: 6-amino-N-[1-[[2-[(2-amino-1-methyl-2-oxo-ethyl)-(1-naphthyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-hydroxy-propyl]-2-[[2-[[2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide CAS Name: 6-amino-2-[[2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-mercapto-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[1-[[1-[(1-amino-1-oxopropan-2-yl)-(1-naphthalenyl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexanamide IUPAC Name: 6-amino-N-[1-[[1-[(1-amino-1-oxopropan-2-yl)-naphthalen-1-ylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Traditional Name: 6-amino-N-[1-[[2-[(2-amino-2-keto-1-methyl-ethyl)-(1-naphthyl)amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-hydroxy-propyl]-2-[[2-[[3-(4-hydroxyphenyl)-2-[[3-mercapto-2-(phenylalanylamino)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Formula: C58H71N11O10S2 MolecularWeight: 1146.38204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CS)C(=O)N(C1=CC=CC2=CC=CC=C21)C(C)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CS)NC(=O)C(CC6=CC=CC=C6)N)O

Isomeric SMILES

CC(C(C(=O)NC(CS)C(=O)N(C1=CC=CC2=CC=CC=C21)C(C)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CS)NC(=O)C(CC6=CC=CC=C6)N)O

InChI

InChI=1S/C58H71N11O10S2/c1-33(51(61)72)69(49-21-12-16-37-15-6-7-18-41(37)49)58(79)48(32-81)67-57(78)50(34(2)70)68-53(74)44(20-10-11-26-59)63-55(76)46(29-38-30-62-43-19-9-8-17-40(38)43)65-54(75)45(28-36-22-24-39(71)25-23-36)64-56(77)47(31-80)66-52(73)42(60)27-35-13-4-3-5-14-35/h3-9,12-19,21-25,30,33-34,42,44-48,50,62,70-71,80-81H,10-11,20,26-29,31-32,59-60H2,1-2H3,(H2,61,72)(H,63,76)(H,64,77)(H,65,75)(H,66,73)(H,67,78)(H,68,74)