2-azanyl-3-[[(E)-6-methoxy-6-oxidanylidene-hex-1-enyl]amino]-4-methyl-5-oxidanylidene-5-(2-phenoxyethanoylamino)pentanoic acid

Systemtic Name: 2-azanyl-3-[[(E)-6-methoxy-6-oxidanylidene-hex-1-enyl]amino]-4-methyl-5-oxidanylidene-5-(2-phenoxyethanoylamino)pentanoic acid Openeye Name: 2-amino-3-[[(E)-6-methoxy-6-oxo-hex-1-enyl]amino]-4-methyl-5-oxo-5-[(2-phenoxyacetyl)amino]pentanoic acid CAS Name: 2-amino-3-[[(E)-6-methoxy-6-oxohex-1-enyl]amino]-4-methyl-5-oxo-5-[(1-oxo-2-phenoxyethyl)amino]pentanoic acid IUPAC Name: 2-amino-3-[[(E)-6-methoxy-6-oxohex-1-enyl]amino]-4-methyl-5-oxo-5-[(2-phenoxyacetyl)amino]pentanoic acid Traditional Name: 2-amino-5-keto-3-[[(E)-6-keto-6-methoxy-hex-1-enyl]amino]-4-methyl-5-[(2-phenoxyacetyl)amino]valeric acid Formula: C21H29N3O7 MolecularWeight: 435.47086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)O)N)NC=CCCCC(=O)OC)C(=O)NC(=O)COC1=CC=CC=C1

Isomeric SMILES

CC(C(C(C(=O)O)N)N/C=C/CCCC(=O)OC)C(=O)NC(=O)COC1=CC=CC=C1

InChI

InChI=1S/C21H29N3O7/c1-14(20(27)24-16(25)13-31-15-9-5-3-6-10-15)19(18(22)21(28)29)23-12-8-4-7-11-17(26)30-2/h3,5-6,8-10,12,14,18-19,23H,4,7,11,13,22H2,1-2H3,(H,28,29)(H,24,25,27)/b12-8+