4-azanylbutyl N-[(2S)-1-(5-azanylpentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: 4-azanylbutyl N-[(2S)-1-(5-azanylpentylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 4-aminobutyl N-[(1S)-2-(5-aminopentylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamic acid 4-aminobutyl ester IUPAC Name: 4-aminobutyl N-[(2S)-1-(5-aminopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(5-aminopentylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamic acid 4-aminobutyl ester Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5O3/c22-10-4-1-6-12-24-20(27)19(26-21(28)29-13-7-5-11-23)14-16-15-25-18-9-3-2-8-17(16)18/h2-3,8-9,15,19,25H,1,4-7,10-14,22-23H2,(H,24,27)(H,26,28)/t19-/m0/s1