1-[[(2S)-6-[(4-iodophenyl)carbonylamino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[(2S)-6-[(4-iodophenyl)carbonylamino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[(1S)-1-carboxy-5-[(4-iodobenzoyl)amino]pentyl]carbamoylamino]cyclopropanecarboxylic acid CAS Name: 1-[[[[(2S)-1-hydroxy-6-[[(4-iodophenyl)-oxomethyl]amino]-1-oxohexan-2-yl]amino]-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[(2S)-1-hydroxy-6-[(4-iodobenzoyl)amino]-1-oxohexan-2-yl]carbamoylamino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[(1S)-1-carboxy-5-[(4-iodobenzoyl)amino]pentyl]carbamoylamino]cyclopropanecarboxylic acid Formula: C18H22IN3O6 MolecularWeight: 503.28825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)O)NC(=O)NC(CCCCNC(=O)C2=CC=C(C=C2)I)C(=O)O

Isomeric SMILES

C1CC1(C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C=C2)I)C(=O)O

InChI

InChI=1S/C18H22IN3O6/c19-12-6-4-11(5-7-12)14(23)20-10-2-1-3-13(15(24)25)21-17(28)22-18(8-9-18)16(26)27/h4-7,13H,1-3,8-10H2,(H,20,23)(H,24,25)(H,26,27)(H2,21,22,28)/t13-/m0/s1