(phenylmethyl) 6-[[1-[2-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-[[1-[2-[[1,2-bis(oxidanylidene)-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl 6-[[1-[2-[1-[2-(allylamino)-2-oxo-acetyl]butylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-2-(benzyloxycarbonylamino)-6-oxo-hexanoate CAS Name: 6-[[1-[2-[[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[[1-[2-[[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-[[1-[2-[1-[2-(allylamino)-2-keto-acetyl]butylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]amino]-2-(benzyloxycarbonylamino)-6-keto-hexanoic acid benzyl ester Formula: C40H53N5O9 MolecularWeight: 747.87692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC=C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)CCCC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)C(=O)NCC=C)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)CCCC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C40H53N5O9/c1-5-15-30(35(47)37(49)41-23-6-2)42-36(48)32-21-14-24-45(32)38(50)34(27(3)4)44-33(46)22-13-20-31(39(51)53-25-28-16-9-7-10-17-28)43-40(52)54-26-29-18-11-8-12-19-29/h6-12,16-19,27,30-32,34H,2,5,13-15,20-26H2,1,3-4H3,(H,41,49)(H,42,48)(H,43,52)(H,44,46)