(3S)-4-[2-(3-ethoxycarbonyloxiran-2-yl)carbonylhydrazinyl]-3-[[(2S)-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[2-(3-ethoxycarbonyloxiran-2-yl)carbonylhydrazinyl]-3-[[(2S)-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[2-(3-ethoxycarbonyloxirane-2-carbonyl)hydrazino]-3-[[(2S)-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(3-ethoxycarbonyl-2-oxiranyl)-oxomethyl]hydrazo]-3-[[(2S)-2-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[2-(3-ethoxycarbonyloxirane-2-carbonyl)hydrazinyl]-3-[[(2S)-2-[[(2S)-3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[N'-(3-carbethoxyoxirane-2-carbonyl)hydrazino]-3-[[(2S)-2-[[(2S)-2-(hydrocinnamoylamino)-3-methyl-butanoyl]amino]propanoyl]amino]-4-keto-butyric acid Formula: C27H37N5O10 MolecularWeight: 591.61018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(O1)C(=O)NNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1C(O1)C(=O)NNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C27H37N5O10/c1-5-41-27(40)22-21(42-22)26(39)32-31-24(37)17(13-19(34)35)29-23(36)15(4)28-25(38)20(14(2)3)30-18(33)12-11-16-9-7-6-8-10-16/h6-10,14-15,17,20-22H,5,11-13H2,1-4H3,(H,28,38)(H,29,36)(H,30,33)(H,31,37)(H,32,39)(H,34,35)/t15-,17-,20-,21?,22?/m0/s1