2-[[(2S)-1-(5-azanylpentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyloxy]ethanoic acid

Systemtic Name: 2-[[(2S)-1-(5-azanylpentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyloxy]ethanoic acid Openeye Name: 2-[[(1S)-2-(5-aminopentylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyloxy]acetic acid CAS Name: 2-[[[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethoxy]acetic acid IUPAC Name: 2-[[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyloxy]acetic acid Traditional Name: 2-[[(1S)-2-(5-aminopentylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyloxy]acetic acid Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCCCCCN)NC(=O)OCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCCCCCN)NC(=O)OCC(=O)O

InChI

InChI=1S/C19H26N4O5/c20-8-4-1-5-9-21-18(26)16(23-19(27)28-12-17(24)25)10-13-11-22-15-7-3-2-6-14(13)15/h2-3,6-7,11,16,22H,1,4-5,8-10,12,20H2,(H,21,26)(H,23,27)(H,24,25)/t16-/m0/s1