ethyl (E,4S)-4-[[(2R,5S)-6-methyl-2-(3-methylbut-2-enyl)-5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-4-oxidanylidene-heptanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2R,5S)-6-methyl-2-(3-methylbut-2-enyl)-5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-4-oxidanylidene-heptanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2R,5S)-6-methyl-2-(3-methylbut-2-enyl)-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate CAS Name: (E,4S)-4-[[(2R,5S)-6-methyl-2-(3-methylbut-2-enyl)-5-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2R,5S)-6-methyl-2-(3-methylbut-2-enyl)-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate Traditional Name: (E,4S)-4-[[(2R)-2-[(3S)-2-keto-4-methyl-3-[(5-methylisoxazole-3-carbonyl)amino]pentyl]-5-methyl-hex-4-enoyl]amino]-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid ethyl ester Formula: C29H42N4O7 MolecularWeight: 558.66638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC=C(C)C)CC(=O)C(C(C)C)NC(=O)C2=NOC(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C29H42N4O7/c1-7-39-25(35)11-10-22(15-21-12-13-30-27(21)36)31-28(37)20(9-8-17(2)3)16-24(34)26(18(4)5)32-29(38)23-14-19(6)40-33-23/h8,10-11,14,18,20-22,26H,7,9,12-13,15-16H2,1-6H3,(H,30,36)(H,31,37)(H,32,38)/b11-10+/t20-,21+,22-,26+/m1/s1