[2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-phenyl-pentyl]-[1-[[6,8-bis(chloranyl)-2-oxidanylidene-chromen-3-yl]carbonylamino]-2-phenyl-ethyl]phosphinic acid

Systemtic Name: [2-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]carbamoyl]-5-phenyl-pentyl]-[1-[[6,8-bis(chloranyl)-2-oxidanylidene-chromen-3-yl]carbonylamino]-2-phenyl-ethyl]phosphinic acid Openeye Name: [2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-5-phenyl-pentyl]-[1-[(6,8-dichloro-2-oxo-chromene-3-carbonyl)amino]-2-phenyl-ethyl]phosphinic acid CAS Name: [2-[[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-oxomethyl]-5-phenylpentyl]-[1-[[(6,8-dichloro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-2-phenylethyl]phosphinic acid IUPAC Name: [2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-5-phenylpentyl]-[1-[(6,8-dichloro-2-oxochromene-3-carbonyl)amino]-2-phenylethyl]phosphinic acid Traditional Name: [2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-5-phenyl-pentyl]-[1-[(6,8-dichloro-2-keto-chromene-3-carbonyl)amino]-2-phenyl-ethyl]phosphinic acid Formula: C41H39Cl2N4O7P MolecularWeight: 801.650721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CP(=O)(C(CC2=CC=CC=C2)NC(=O)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl)O)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CP(=O)(C(CC2=CC=CC=C2)NC(=O)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl)O)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N

InChI

InChI=1S/C41H39Cl2N4O7P/c42-30-19-28-20-32(41(51)54-37(28)33(43)22-30)40(50)47-36(18-26-12-5-2-6-13-26)55(52,53)24-27(15-9-14-25-10-3-1-4-11-25)39(49)46-35(38(44)48)21-29-23-45-34-17-8-7-16-31(29)34/h1-8,10-13,16-17,19-20,22-23,27,35-36,45H,9,14-15,18,21,24H2,(H2,44,48)(H,46,49)(H,47,50)(H,52,53)/t27?,35-,36?/m0/s1