(phenylmethyl) (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(pentan-3-yloxycarbonylamino)butanoyl]amino]-4-oxidanylidene-4-pyrrolidin-1-yl-butanoyl]amino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(pentan-3-yloxycarbonylamino)butanoyl]amino]-4-oxidanylidene-4-pyrrolidin-1-yl-butanoyl]amino]-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[(2S)-4-benzyloxy-2-[[(2S)-2-[[(2S)-2-(1-ethylpropoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-4-oxo-4-pyrrolidin-1-yl-butanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3,3-dimethyl-1-oxo-2-[[oxo(pentan-3-yloxy)methyl]amino]butyl]amino]-1,4-dioxo-4-(1-pyrrolidinyl)butyl]amino]-1,4-dioxo-4-phenylmethoxybutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(pentan-3-yloxycarbonylamino)butanoyl]amino]-4-oxo-4-pyrrolidin-1-ylbutanoyl]amino]-4-oxo-4-phenylmethoxybutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-4-benzoxy-2-[[(2S)-2-[[(2S)-2-(1-ethylpropoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-4-keto-4-pyrrolidino-butanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C44H63N5O10 MolecularWeight: 821.99852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)NC(C(=O)NC(CC(=O)N1CCCC1)C(=O)NC(CC(=O)OCC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)OCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCC(CC)OC(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)OCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C44H63N5O10/c1-8-32(9-2)59-43(56)48-38(44(5,6)7)41(54)46-33(25-36(50)49-22-16-17-23-49)39(52)45-34(26-37(51)57-27-30-18-12-10-13-19-30)40(53)47-35(24-29(3)4)42(55)58-28-31-20-14-11-15-21-31/h10-15,18-21,29,32-35,38H,8-9,16-17,22-28H2,1-7H3,(H,45,52)(H,46,54)(H,47,53)(H,48,56)/t33-,34-,35-,38+/m0/s1