ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-enoate CAS Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-5-phenyl-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-5-phenylpent-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[[(2S)-2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-phenyl-pent-2-enoic acid ethyl ester Formula: C37H41N3O7 MolecularWeight: 639.73734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C37H41N3O7/c1-4-45-34(42)20-17-29(21-26-11-7-5-8-12-26)38-36(43)30(22-27-13-9-6-10-14-27)39-37(44)35(25(2)3)40-33(41)19-16-28-15-18-31-32(23-28)47-24-46-31/h5-20,23,25,29-30,35H,4,21-22,24H2,1-3H3,(H,38,43)(H,39,44)(H,40,41)/b19-16+,20-17+/t29-,30+,35+/m1/s1