3-[[(2S)-2-(4-azanylbutoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid

Systemtic Name: 3-[[(2S)-2-(4-azanylbutoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid Openeye Name: 3-[[(2S)-2-(4-aminobutoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid CAS Name: 3-[[(2S)-2-[[4-aminobutoxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[(2S)-2-(4-aminobutoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid Traditional Name: 3-[[(2S)-2-(4-aminobutoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]propionic 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)NCCC(=O)O)NC(=O)OCCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCCC(=O)O)NC(=O)OCCCCN

InChI

InChI=1S/C19H26N4O5/c20-8-3-4-10-28-19(27)23-16(18(26)21-9-7-17(24)25)11-13-12-22-15-6-2-1-5-14(13)15/h1-2,5-6,12,16,22H,3-4,7-11,20H2,(H,21,26)(H,23,27)(H,24,25)/t16-/m0/s1