(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-chlorophenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-pyridin-2-yl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-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]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(4-chlorophenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-pyridin-2-yl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-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]hexanamide Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(2-pyridyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S)-1-[[(1R)-2-[[(1S)-2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-methyl-propyl]hexanamide CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-chlorophenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxo-3-(2-pyridinyl)propyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-pyridin-2-ylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-3-mercapto-propanoyl]amino]-3-(2-pyridyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S)-1-[[(1R)-2-[[(1S)-2-amino-2-keto-1-(2-naphthylmethyl)ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-methyl-propyl]hexanamide Formula: C58H71ClN12O8S2 MolecularWeight: 1163.84294

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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(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=N5)NC(=O)C(CS)NC(=O)C(CC6=CC=C(C=C6)Cl)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=CC=N5)NC(=O)[C@@H](CS)NC(=O)[C@H](CC6=CC=C(C=C6)Cl)N

InChI

InChI=1S/C58H71ClN12O8S2/c1-33(2)50(58(79)70-49(32-81)56(77)66-45(51(62)72)27-35-17-20-36-11-3-4-12-37(36)25-35)71-53(74)44(16-7-9-23-60)65-54(75)46(28-38-30-64-43-15-6-5-14-41(38)43)67-55(76)47(29-40-13-8-10-24-63-40)68-57(78)48(31-80)69-52(73)42(61)26-34-18-21-39(59)22-19-34/h3-6,8,10-15,17-22,24-25,30,33,42,44-50,64,80-81H,7,9,16,23,26-29,31-32,60-61H2,1-2H3,(H2,62,72)(H,65,75)(H,66,77)(H,67,76)(H,68,78)(H,69,73)(H,70,79)(H,71,74)/t42-,44-,45-,46-,47-,48+,49-,50-/m0/s1