methyl (2R)-2-[[(2S)-2-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]pent-4-enoate

Systemtic Name: methyl (2R)-2-[[(2S)-2-[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]pent-4-enoate Openeye Name: methyl (2R)-2-[[(2S)-2-[[2-[[(2R)-2-(tert-butoxycarbonylamino)pent-4-enoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]pent-4-enoate CAS Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopent-4-enyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-pentenoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-2-[[2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]pent-4-enoate Traditional Name: (2R)-2-[[(2S)-2-[[2-[[(2R)-2-(tert-butoxycarbonylamino)pent-4-enoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]pent-4-enoic acid methyl ester Formula: C27H38N4O7 MolecularWeight: 530.61322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC=C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC=C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC=C)C(=O)OC

InChI

InChI=1S/C27H38N4O7/c1-7-12-19(31-26(36)38-27(3,4)5)23(33)28-17-22(32)29-21(16-18-14-10-9-11-15-18)24(34)30-20(13-8-2)25(35)37-6/h7-11,14-15,19-21H,1-2,12-13,16-17H2,3-6H3,(H,28,33)(H,29,32)(H,30,34)(H,31,36)/t19-,20-,21+/m1/s1