2-azanyl-N-[1-(1H-imidazol-5-yl)-2-methanoyl-5-methyl-2-[(4-methylpiperidin-2-yl)-piperazin-2-yl-amino]-3-oxidanylidene-heptan-4-yl]-3-(1H-indol-3-yl)propanamide

Systemtic Name: 2-azanyl-N-[1-(1H-imidazol-5-yl)-2-methanoyl-5-methyl-2-[(4-methylpiperidin-2-yl)-piperazin-2-yl-amino]-3-oxidanylidene-heptan-4-yl]-3-(1H-indol-3-yl)propanamide Openeye Name: 2-amino-N-[3-formyl-4-(1H-imidazol-5-yl)-3-[(4-methyl-2-piperidyl)-piperazin-2-yl-amino]-2-oxo-1-sec-butyl-butyl]-3-(1H-indol-3-yl)propanamide CAS Name: 2-amino-N-[2-formyl-1-(1H-imidazol-5-yl)-5-methyl-2-[(4-methyl-2-piperidinyl)-(2-piperazinyl)amino]-3-oxoheptan-4-yl]-3-(1H-indol-3-yl)propanamide IUPAC Name: 2-amino-N-[2-formyl-1-(1H-imidazol-5-yl)-5-methyl-2-[(4-methylpiperidin-2-yl)-piperazin-2-ylamino]-3-oxoheptan-4-yl]-3-(1H-indol-3-yl)propanamide Traditional Name: 2-amino-N-[3-formyl-4-(1H-imidazol-5-yl)-2-keto-3-[(4-methyl-2-piperidyl)-piperazin-2-yl-amino]-1-sec-butyl-butyl]-3-(1H-indol-3-yl)propionamide Formula: C33H49N9O3 MolecularWeight: 619.80066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(CC1=CN=CN1)(C=O)N(C2CC(CCN2)C)C3CNCCN3)NC(=O)C(CC4=CNC5=CC=CC=C54)N

Isomeric SMILES

CCC(C)C(C(=O)C(CC1=CN=CN1)(C=O)N(C2CC(CCN2)C)C3CNCCN3)NC(=O)C(CC4=CNC5=CC=CC=C54)N

InChI

InChI=1S/C33H49N9O3/c1-4-22(3)30(41-32(45)26(34)14-23-16-39-27-8-6-5-7-25(23)27)31(44)33(19-43,15-24-17-36-20-40-24)42(29-18-35-11-12-38-29)28-13-21(2)9-10-37-28/h5-8,16-17,19-22,26,28-30,35,37-39H,4,9-15,18,34H2,1-3H3,(H,36,40)(H,41,45)