(2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[[(2S)-4-methyl-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanediamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[[(2S)-4-methyl-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]pentanoyl]amino]butanediamide Openeye Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S,2R)-1-[[2-[[(1S)-2-[[2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]pentyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-4-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide Traditional Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S,2R)-1-[[2-[[(1S)-2-[[2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-2-keto-1-methylol-ethyl]amino]-1-benzyl-2-keto-ethyl]-2-[[(2S)-2-[[(2S)-5-ketoprolyl]amino]-4-methyl-pentanoyl]amino]succinamide Formula: C48H65N13O14 MolecularWeight: 1048.1084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)NCC(=O)N)NC(=O)C4CCC(=O)N4

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4CCC(=O)N4)O

InChI

InChI=1S/C48H65N13O14/c1-24(2)15-31(57-43(70)30-13-14-38(66)55-30)44(71)59-34(18-36(49)64)46(73)58-32(16-26-9-5-4-6-10-26)45(72)60-35(23-62)47(74)61-41(25(3)63)48(75)54-22-40(68)56-33(42(69)53-21-39(67)52-20-37(50)65)17-27-19-51-29-12-8-7-11-28(27)29/h4-12,19,24-25,30-35,41,51,62-63H,13-18,20-23H2,1-3H3,(H2,49,64)(H2,50,65)(H,52,67)(H,53,69)(H,54,75)(H,55,66)(H,56,68)(H,57,70)(H,58,73)(H,59,71)(H,60,72)(H,61,74)/t25-,30+,31+,32+,33+,34+,35+,41+/m1/s1