(2R)-5-(aminocarbonylamino)-2-[2-(6-fluoranylindol-1-yl)ethanoylamino]pentanoate

Systemtic Name: (2R)-5-(aminocarbonylamino)-2-[2-(6-fluoranylindol-1-yl)ethanoylamino]pentanoate Openeye Name: (2R)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-5-ureido-pentanoate CAS Name: (2R)-5-(carbamoylamino)-2-[[2-(6-fluoro-1-indolyl)-1-oxoethyl]amino]pentanoate IUPAC Name: (2R)-5-(carbamoylamino)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]pentanoate Traditional Name: (2R)-2-[[2-(6-fluoroindol-1-yl)acetyl]amino]-5-ureido-valerate Formula: C16H18FN4O4- MolecularWeight: 349.336923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN2CC(=O)NC(CCCNC(=O)N)C(=O)[O-])F

Isomeric SMILES

C1=CC(=CC2=C1C=CN2CC(=O)N[C@H](CCCNC(=O)N)C(=O)[O-])F

InChI

InChI=1S/C16H19FN4O4/c17-11-4-3-10-5-7-21(13(10)8-11)9-14(22)20-12(15(23)24)2-1-6-19-16(18)25/h3-5,7-8,12H,1-2,6,9H2,(H,20,22)(H,23,24)(H3,18,19,25)/p-1/t12-/m1/s1