methyl (2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[(2S)-1-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[(2S)-1-[[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[(1S)-1-[[(1S)-2-methoxy-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[[N-[2-[2-cyanoethyl-[[[(2S)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]amino]ethyl]anilino]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[(2S)-1-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]amino]ethyl-phenylcarbamoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[(1S)-1-[[(1S)-2-keto-2-methoxy-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C38H53N7O8 MolecularWeight: 735.86952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCN(CCC#N)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)N(CCC#N)CCN(C1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C38H53N7O8/c1-25(2)23-31(36(49)53-7)41-33(46)30(24-28-15-10-8-11-16-28)42-38(51)45(29-17-12-9-13-18-29)22-21-44(20-14-19-39)37(50)43-32(26(3)4)34(47)40-27(5)35(48)52-6/h8-13,15-18,25-27,30-32H,14,20-24H2,1-7H3,(H,40,47)(H,41,46)(H,42,51)(H,43,50)/t27-,30-,31-,32-/m0/s1