7-azanyl-3-[[(2S)-2-(cyclohexylmethylamino)-5-oxidanylidene-5-piperazin-1-yl-pentanoyl]amino]-2-oxidanylidene-N-(phenylmethyl)heptanamide

Systemtic Name: 7-azanyl-3-[[(2S)-2-(cyclohexylmethylamino)-5-oxidanylidene-5-piperazin-1-yl-pentanoyl]amino]-2-oxidanylidene-N-(phenylmethyl)heptanamide Openeye Name: 7-amino-N-benzyl-3-[[(2S)-2-(cyclohexylmethylamino)-5-oxo-5-piperazin-1-yl-pentanoyl]amino]-2-oxo-heptanamide CAS Name: 7-amino-3-[[(2S)-2-(cyclohexylmethylamino)-1,5-dioxo-5-(1-piperazinyl)pentyl]amino]-2-oxo-N-(phenylmethyl)heptanamide IUPAC Name: 7-amino-N-benzyl-3-[[(2S)-2-(cyclohexylmethylamino)-5-oxo-5-piperazin-1-ylpentanoyl]amino]-2-oxoheptanamide Traditional Name: 7-amino-N-benzyl-3-[[(2S)-2-(cyclohexylmethylamino)-5-keto-5-piperazino-pentanoyl]amino]-2-keto-enanthamide Formula: C30H48N6O4 MolecularWeight: 556.73992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(CCC(=O)N2CCNCC2)C(=O)NC(CCCCN)C(=O)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CN[C@@H](CCC(=O)N2CCNCC2)C(=O)NC(CCCCN)C(=O)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C30H48N6O4/c31-16-8-7-13-25(28(38)30(40)34-22-24-11-5-2-6-12-24)35-29(39)26(33-21-23-9-3-1-4-10-23)14-15-27(37)36-19-17-32-18-20-36/h2,5-6,11-12,23,25-26,32-33H,1,3-4,7-10,13-22,31H2,(H,34,40)(H,35,39)/t25?,26-/m0/s1