(3S)-3-[(3S)-3-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-pyrrolidin-1-yl]-4-[[(2S)-3-indol-1-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (3S)-3-[(3S)-3-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-pyrrolidin-1-yl]-4-[[(2S)-3-indol-1-yl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (3S)-3-[(3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-2-oxo-pyrrolidin-1-yl]-4-[[(1S)-2-hydroxy-1-(indol-1-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid; 2,2,2-trifluoroacetic acid CAS Name: (3S)-3-[(3S)-3-[[(2S)-5-(diaminomethylideneamino)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-oxo-1-pyrrolidinyl]-4-[[(2S)-1-hydroxy-3-(1-indolyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: (3S)-3-[(3S)-3-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxopyrrolidin-1-yl]-4-[[(2S)-1-hydroxy-3-indol-1-yl-1-oxopropan-2-yl]amino]-4-oxobutanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: (3S)-3-[(3S)-3-[[(2S)-2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-2-keto-pyrrolidino]-4-[[(1S)-2-hydroxy-1-(indol-1-ylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid; 2,2,2-trifluoroacetic acid Formula: C35H41F3N8O11 MolecularWeight: 806.74225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NC(=O)C(CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2)C(CC(=O)O)C(=O)NC(CN3C=CC4=CC=CC=C43)C(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CN(C(=O)[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2)[C@@H](CC(=O)O)C(=O)N[C@@H](CN3C=CC4=CC=CC=C43)C(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C33H40N8O9.C2HF3O2/c34-32(35)36-14-6-10-22(39-33(49)50-19-20-7-2-1-3-8-20)28(44)37-23-13-16-41(30(23)46)26(17-27(42)43)29(45)38-24(31(47)48)18-40-15-12-21-9-4-5-11-25(21)40;3-2(4,5)1(6)7/h1-5,7-9,11-12,15,22-24,26H,6,10,13-14,16-19H2,(H,37,44)(H,38,45)(H,39,49)(H,42,43)(H,47,48)(H4,34,35,36);(H,6,7)/t22-,23-,24-,26-;/m0./s1