N-[[[(2S)-4-azanyl-4-oxidanylidene-2-(quinolin-2-ylmethylamino)butanoyl]amino]-(4-phenylbutyl)amino]-N-phosphonooxy-carbamate

Systemtic Name: N-[[[(2S)-4-azanyl-4-oxidanylidene-2-(quinolin-2-ylmethylamino)butanoyl]amino]-(4-phenylbutyl)amino]-N-phosphonooxy-carbamate Openeye Name: N-[[[(2S)-4-amino-4-oxo-2-(2-quinolylmethylamino)butanoyl]amino]-(4-phenylbutyl)amino]-N-phosphonooxy-carbamate CAS Name: N-[[[(2S)-4-amino-1,4-dioxo-2-(2-quinolinylmethylamino)butyl]amino]-(4-phenylbutyl)amino]-N-phosphonooxycarbamate IUPAC Name: N-[[[(2S)-4-amino-4-oxo-2-(quinolin-2-ylmethylamino)butanoyl]amino]-(4-phenylbutyl)amino]-N-phosphonooxycarbamate Traditional Name: N-[[[(2S)-4-amino-4-keto-2-(2-quinolylmethylamino)butanoyl]amino]-(4-phenylbutyl)amino]-N-phosphonooxy-carbamate Formula: C25H30N6O8P- MolecularWeight: 573.514861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN(NC(=O)C(CC(=O)N)NCC2=NC3=CC=CC=C3C=C2)N(C(=O)[O-])OP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCN(NC(=O)[C@H](CC(=O)N)NCC2=NC3=CC=CC=C3C=C2)N(C(=O)[O-])OP(=O)(O)O

InChI

InChI=1S/C25H31N6O8P/c26-23(32)16-22(27-17-20-14-13-19-11-4-5-12-21(19)28-20)24(33)29-30(31(25(34)35)39-40(36,37)38)15-7-6-10-18-8-2-1-3-9-18/h1-5,8-9,11-14,22,27H,6-7,10,15-17H2,(H2,26,32)(H,29,33)(H,34,35)(H2,36,37,38)/p-1/t22-/m0/s1