methyl (2S)-2-[[(2S)-2-[[1-[(2R,3S)-3-[[(2S)-4-azanyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[1-[(2R,3S)-3-[[(2S)-4-azanyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-4-phenyl-butyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[[1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-2-hydroxy-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-2-hydroxy-4-phenyl-butyl]prolyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C42H69N7O10 MolecularWeight: 832.03816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C1CCCN1CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)C1CCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C42H69N7O10/c1-11-26(6)35(39(55)47-34(25(4)5)40(56)58-10)48-38(54)31-18-15-19-49(31)23-32(50)28(21-27-16-13-12-14-17-27)44-37(53)30(22-33(43)51)45-36(52)29(20-24(2)3)46-41(57)59-42(7,8)9/h12-14,16-17,24-26,28-32,34-35,50H,11,15,18-23H2,1-10H3,(H2,43,51)(H,44,53)(H,45,52)(H,46,57)(H,47,55)(H,48,54)/t26?,28-,29-,30-,31?,32+,34-,35-/m0/s1