ethyl (E,4S)-5-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxidanylidene-piperidin-3-yl]-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]pent-2-enoate

Systemtic Name: ethyl (E,4S)-5-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxidanylidene-piperidin-3-yl]-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3-piperidyl]pent-2-enoate CAS Name: (E,4S)-5-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-3-piperidinyl]-4-[[(2S)-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxo-3-phenylpropyl]amino]-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-5-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-2-oxopiperidin-3-yl]-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]pent-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-[(3R)-1-(2,4-dimethoxybenzyl)-2-keto-3-piperidyl]pent-2-enoic acid ethyl ester Formula: C44H56N4O9 MolecularWeight: 784.93684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1CCCN(C1=O)CC2=C(C=C(C=C2)OC)OC)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(C)C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)/C=C/[C@H](C[C@H]1CCCN(C1=O)CC2=C(C=C(C=C2)OC)OC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(C)C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C44H56N4O9/c1-6-56-40(49)22-20-35(26-33-18-13-23-48(43(33)52)28-34-19-21-36(54-4)27-39(34)55-5)45-41(50)38(25-31-14-9-7-10-15-31)46-42(51)37(24-30(2)3)47-44(53)57-29-32-16-11-8-12-17-32/h7-12,14-17,19-22,27,30,33,35,37-38H,6,13,18,23-26,28-29H2,1-5H3,(H,45,50)(H,46,51)(H,47,53)/b22-20+/t33-,35-,37+,38+/m1/s1