(2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[4-methoxy-3-[(2-methylpropanoylamino)carbamoyl]phenyl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-N,4-dimethyl-pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[4-methoxy-3-[(2-methylpropanoylamino)carbamoyl]phenyl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-N,4-dimethyl-pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[4-methoxy-3-[(2-methylpropanoylamino)carbamoyl]phenyl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-N,4-dimethyl-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[[N-[2-[2-cyanoethyl-[[4-methoxy-3-[[(2-methyl-1-oxopropyl)hydrazo]-oxomethyl]anilino]-oxomethyl]amino]ethyl]anilino]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-N,4-dimethylpentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[4-methoxy-3-[(2-methylpropanoylamino)carbamoyl]phenyl]carbamoyl]amino]ethyl-phenylcarbamoyl]amino]-3-phenylpropanoyl]amino]-N,4-dimethylpentanamide Traditional Name: (2S)-2-[[(2S)-2-[[2-[2-cyanoethyl-[[3-[(isobutyrylamino)carbamoyl]-4-methoxy-phenyl]carbamoyl]amino]ethyl-phenyl-carbamoyl]amino]-3-phenyl-propanoyl]amino]-N,4-dimethyl-valeramide Formula: C41H53N9O7 MolecularWeight: 783.91562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC)NC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCN(CCC#N)C(=O)NC2=CC(=C(C=C2)OC)C(=O)NNC(=O)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N(CCN(CCC#N)C(=O)NC2=CC(=C(C=C2)OC)C(=O)NNC(=O)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C41H53N9O7/c1-27(2)24-33(38(53)43-5)45-39(54)34(25-29-14-9-7-10-15-29)46-41(56)50(31-16-11-8-12-17-31)23-22-49(21-13-20-42)40(55)44-30-18-19-35(57-6)32(26-30)37(52)48-47-36(51)28(3)4/h7-12,14-19,26-28,33-34H,13,21-25H2,1-6H3,(H,43,53)(H,44,55)(H,45,54)(H,46,56)(H,47,51)(H,48,52)/t33-,34-/m0/s1