(E)-2-azanyl-3-(3-azanyl-3-phenyl-propyl)-7-(decan-2-yloxycarbonylamino)-4-oxidanylidene-hept-2-enoic acid

Systemtic Name: (E)-2-azanyl-3-(3-azanyl-3-phenyl-propyl)-7-(decan-2-yloxycarbonylamino)-4-oxidanylidene-hept-2-enoic acid Openeye Name: (E)-2-amino-3-(3-amino-3-phenyl-propyl)-7-(1-methylnonoxycarbonylamino)-4-oxo-hept-2-enoic acid CAS Name: (E)-2-amino-3-(3-amino-3-phenylpropyl)-7-[[decan-2-yloxy(oxo)methyl]amino]-4-oxo-2-heptenoic acid IUPAC Name: (E)-2-amino-3-(3-amino-3-phenylpropyl)-7-(decan-2-yloxycarbonylamino)-4-oxohept-2-enoic acid Traditional Name: (E)-2-amino-3-(3-amino-3-phenyl-propyl)-4-keto-7-(1-methylnonoxycarbonylamino)hept-2-enoic acid Formula: C27H43N3O5 MolecularWeight: 489.64742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)OC(=O)NCCCC(=O)C(=C(C(=O)O)N)CCC(C1=CC=CC=C1)N

Isomeric SMILES

CCCCCCCCC(C)OC(=O)NCCCC(=O)/C(=C(\C(=O)O)/N)/CCC(C1=CC=CC=C1)N

InChI

InChI=1S/C27H43N3O5/c1-3-4-5-6-7-9-13-20(2)35-27(34)30-19-12-16-24(31)22(25(29)26(32)33)17-18-23(28)21-14-10-8-11-15-21/h8,10-11,14-15,20,23H,3-7,9,12-13,16-19,28-29H2,1-2H3,(H,30,34)(H,32,33)/b25-22+