(3S)-3-azanyl-4-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-3-(4-hydroxyphenyl)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[(2S)-2-[[(1S,2S)-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[(2S)-2-[[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[(2S)-2-[[(1S,2S)-1-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-(4-hydroxybenzyl)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidino]-4-keto-butyric acid Formula: C43H57N9O12 MolecularWeight: 891.96578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(C)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4CCCN4C(=O)C(CC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C43H57N9O12/c1-5-22(2)36(51-40(60)33-11-8-16-52(33)42(62)29(44)19-35(55)56)41(61)48-24(4)38(58)47-23(3)37(57)46-21-34(54)49-31(17-25-12-14-27(53)15-13-25)39(59)50-32(43(63)64)18-26-20-45-30-10-7-6-9-28(26)30/h6-7,9-10,12-15,20,22-24,29,31-33,36,45,53H,5,8,11,16-19,21,44H2,1-4H3,(H,46,57)(H,47,58)(H,48,61)(H,49,54)(H,50,59)(H,51,60)(H,55,56)(H,63,64)/t22-,23-,24-,29-,31-,32-,33-,36-/m0/s1