(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-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)-2-[[2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]-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-[(2S)-2-[[2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-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)-2-[[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-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)-2-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-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-[(2S)-2-[[2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidino]-2-keto-1-methylol-ethyl]amino]-1-benzyl-2-keto-ethyl]-2-[[(2S)-2-[[(2S)-5-ketoprolyl]amino]-4-methyl-pentanoyl]amino]succinamide Formula: C45H59N11O11 MolecularWeight: 930.01706

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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)N2CCCC2C(=O)NCC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)C5CCC(=O)N5

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)[C@@H]5CCC(=O)N5

InChI

InChI=1S/C45H59N11O11/c1-24(2)17-31(52-40(62)29-14-15-37(59)50-29)41(63)54-33(20-36(46)58)43(65)53-32(18-25-9-4-3-5-10-25)42(64)55-34(23-57)45(67)56-16-8-13-35(56)44(66)49-22-38(60)51-30(39(47)61)19-26-21-48-28-12-7-6-11-27(26)28/h3-7,9-12,21,24,29-35,48,57H,8,13-20,22-23H2,1-2H3,(H2,46,58)(H2,47,61)(H,49,66)(H,50,59)(H,51,60)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t29-,30-,31-,32-,33-,34-,35-/m0/s1