(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]butanediamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-2-[[(2S)-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]butanediamide Openeye Name: (2S)-N-[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]pyrrolidin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]butanediamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]-3-phenylpropyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]butanediamide Traditional Name: (2S)-N-[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S)-1-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]pyrrolidino]-2-keto-1-methylol-ethyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]-2-[[(2S)-2-[[(2S)-5-ketoprolyl]amino]-3-phenyl-propanoyl]amino]succinamide Formula: C51H63N11O12 MolecularWeight: 1022.11242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)C3CCCN3C(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC(=O)N)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6CCC(=O)N6

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCC(=O)N6

InChI

InChI=1S/C51H63N11O12/c1-27(2)43(50(73)56-35(44(53)67)23-30-25-54-33-12-7-6-11-32(30)33)61-49(72)40-13-8-20-62(40)51(74)39(26-63)60-47(70)37(22-29-14-16-31(64)17-15-29)58-48(71)38(24-41(52)65)59-46(69)36(21-28-9-4-3-5-10-28)57-45(68)34-18-19-42(66)55-34/h3-7,9-12,14-17,25,27,34-40,43,54,63-64H,8,13,18-24,26H2,1-2H3,(H2,52,65)(H2,53,67)(H,55,66)(H,56,73)(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,72)/t34-,35-,36-,37-,38-,39-,40-,43-/m0/s1