(3S)-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-[[(2S)-3-phenyl-2-[[(2E)-2-[(4-phenylphenyl)methoxyimino]ethanoyl]amino]propanoyl]amino]butanoic acid

Systemtic Name: (3S)-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-3-[[(2S)-3-phenyl-2-[[(2E)-2-[(4-phenylphenyl)methoxyimino]ethanoyl]amino]propanoyl]amino]butanoic acid Openeye Name: (3S)-4-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-3-[[(2S)-3-phenyl-2-[[(2E)-2-[(4-phenylphenyl)methoxyimino]acetyl]amino]propanoyl]amino]butanoic acid CAS Name: (3S)-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-[[(2S)-1-oxo-2-[[(2E)-1-oxo-2-[(4-phenylphenyl)methoxyimino]ethyl]amino]-3-phenylpropyl]amino]butanoic acid IUPAC Name: (3S)-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxo-3-[[(2S)-3-phenyl-2-[[(2E)-2-[(4-phenylphenyl)methoxyimino]acetyl]amino]propanoyl]amino]butanoic acid Traditional Name: (3S)-4-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-keto-3-[[(2S)-3-phenyl-2-[[(2E)-2-(4-phenylbenzyl)oximinoacetyl]amino]propanoyl]amino]butyric acid Formula: C51H59N7O10 MolecularWeight: 930.05506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C=NOCC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)/C=N/OCC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C51H59N7O10/c1-5-31(3)45(49(64)56-42(51(66)67)26-37-28-52-39-20-14-13-19-38(37)39)58-50(65)46(32(4)6-2)57-48(63)41(27-44(60)61)55-47(62)40(25-33-15-9-7-10-16-33)54-43(59)29-53-68-30-34-21-23-36(24-22-34)35-17-11-8-12-18-35/h7-24,28-29,31-32,40-42,45-46,52H,5-6,25-27,30H2,1-4H3,(H,54,59)(H,55,62)(H,56,64)(H,57,63)(H,58,65)(H,60,61)(H,66,67)/b53-29+/t31-,32-,40-,41-,42-,45-,46-/m0/s1