(2S)-N-(4-azanylbutyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbamoylamino)-3-(1H-indol-3-yl)propanamide

Systemtic Name: (2S)-N-(4-azanylbutyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbamoylamino)-3-(1H-indol-3-yl)propanamide Openeye Name: (2S)-N-(4-aminobutyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbamoylamino)-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-N-(4-aminobutyl)-2-[[(3,4-dihydro-1H-isoquinolin-2-ylamino)-oxomethyl]amino]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2S)-N-(4-aminobutyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbamoylamino)-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-N-(4-aminobutyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbamoylamino)-3-(1H-indol-3-yl)propionamide Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)NC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCCCCN

Isomeric SMILES

C1CN(CC2=CC=CC=C21)NC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NCCCCN

InChI

InChI=1S/C25H32N6O2/c26-12-5-6-13-27-24(32)23(15-20-16-28-22-10-4-3-9-21(20)22)29-25(33)30-31-14-11-18-7-1-2-8-19(18)17-31/h1-4,7-10,16,23,28H,5-6,11-15,17,26H2,(H,27,32)(H2,29,30,33)/t23-/m0/s1