ethyl (E,4S)-4-[[(2S)-6-azanyl-2-[[(2R)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-6-azanyl-2-[[(2R)-6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-6-amino-2-[[(2R)-6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate CAS Name: (E,4S)-4-[[(2S)-6-amino-2-[[(2R)-6-amino-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]-1-oxohexyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-6-amino-2-[[(2R)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate Traditional Name: (E,4S)-4-[[(2S)-6-amino-2-[[(2R)-6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]hexanoyl]amino]-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid ethyl ester Formula: C31H48N6O7 MolecularWeight: 616.74882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C31H48N6O7/c1-2-43-27(38)15-14-24(20-23-16-19-34-28(23)39)35-29(40)25(12-6-8-17-32)36-30(41)26(13-7-9-18-33)37-31(42)44-21-22-10-4-3-5-11-22/h3-5,10-11,14-15,23-26H,2,6-9,12-13,16-21,32-33H2,1H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t23-,24+,25-,26+/m0/s1