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

Systemtic Name: ethyl (E)-4-[[(2S,5S)-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-(2-methylprop-1-enyl)-4-oxidanylidene-heptanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate Openeye Name: ethyl (E)-4-[[(2S,5S)-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-2-(2-methylprop-1-enyl)-4-oxo-heptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate CAS Name: (E)-4-[[(2S,5S)-6-methyl-5-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-2-(2-methylprop-1-enyl)-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(2S,5S)-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-(2-methylprop-1-enyl)-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate Traditional Name: (E)-4-[[(2S)-2-[(3S)-2-keto-4-methyl-3-[(5-methylisoxazole-3-carbonyl)amino]pentyl]-4-methyl-pent-3-enoyl]amino]-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid ethyl ester Formula: C28H40N4O7 MolecularWeight: 544.6398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O7/c1-7-38-24(34)9-8-21(14-19-10-11-29-26(19)35)30-27(36)20(12-16(2)3)15-23(33)25(17(4)5)31-28(37)22-13-18(6)39-32-22/h8-9,12-13,17,19-21,25H,7,10-11,14-15H2,1-6H3,(H,29,35)(H,30,36)(H,31,37)/b9-8+/t19-,20+,21?,25-/m0/s1