5-azanyl-N-[1-[[1-[(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-[[2-[[2-[[2-[(2-azanyl-3-naphthalen-2-yl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanamide

Systemtic Name: 5-azanyl-N-[1-[[1-[(1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-[[2-[[2-[[2-[(2-azanyl-3-naphthalen-2-yl-propanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanamide Openeye Name: 5-amino-N-[1-[[2-[[2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-methyl-propyl]-2-[[2-[[2-[[2-[[2-amino-3-(2-naphthyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanamide CAS Name: 5-amino-N-[1-[[1-[[1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[2-[[2-[[2-[[2-amino-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]pentanamide IUPAC Name: 5-amino-N-[1-[[1-[(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[2-[[2-[[2-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanamide Traditional Name: 5-amino-N-[1-[[2-[[2-amino-2-keto-1-(2-naphthylmethyl)ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-methyl-propyl]-2-[[2-[[2-[[2-[[2-amino-3-(2-naphthyl)propanoyl]amino]-3-mercapto-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]valeramide Formula: C62H73N11O9S2 MolecularWeight: 1180.44132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CS)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N)NC(=O)C(CCCN)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=CC7=CC=CC=C7C=C6)N

Isomeric SMILES

CC(C)C(C(=O)NC(CS)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N)NC(=O)C(CCCN)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=CC7=CC=CC=C7C=C6)N

InChI

InChI=1S/C62H73N11O9S2/c1-35(2)54(62(82)72-53(34-84)60(80)68-49(55(65)75)30-38-18-22-40-11-4-6-13-42(40)27-38)73-57(77)48(16-9-25-63)67-59(79)51(31-43-32-66-47-15-8-7-14-45(43)47)70-58(78)50(29-36-19-23-44(74)24-20-36)69-61(81)52(33-83)71-56(76)46(64)28-37-17-21-39-10-3-5-12-41(39)26-37/h3-8,10-15,17-24,26-27,32,35,46,48-54,66,74,83-84H,9,16,25,28-31,33-34,63-64H2,1-2H3,(H2,65,75)(H,67,79)(H,68,80)(H,69,81)(H,70,78)(H,71,76)(H,72,82)(H,73,77)