(2S)-2-[[1-[[[(1R)-1-[[(2S)-6-azanyl-2-(methylsulfonylamino)hexanoyl]amino]-2-phenyl-ethyl]-oxidanyl-phosphoryl]methyl]cyclopentyl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid; lithium

Systemtic Name: (2S)-2-[[1-[[[(1R)-1-[[(2S)-6-azanyl-2-(methylsulfonylamino)hexanoyl]amino]-2-phenyl-ethyl]-oxidanyl-phosphoryl]methyl]cyclopentyl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid; lithium Openeye Name: (2S)-2-[[1-[[[(1R)-1-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]cyclopentanecarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid; lithium CAS Name: (2S)-2-[[[1-[[[(1R)-1-[[(2S)-6-amino-2-(methanesulfonamido)-1-oxohexyl]amino]-2-phenylethyl]-hydroxyphosphoryl]methyl]cyclopentyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid; lithium IUPAC Name: (2S)-2-[[1-[[[(1R)-1-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-2-phenylethyl]-hydroxyphosphoryl]methyl]cyclopentanecarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid; lithium Traditional Name: (2S)-2-[[1-[[[(1R)-1-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]cyclopentanecarbonyl]amino]-3-(1H-indol-3-yl)propionic acid; lithium Formula: C33H46LiN5O8PS MolecularWeight: 710.726801

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Descriptors Computed from Structure

Canonical SMILES:

[Li].CS(=O)(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)P(=O)(CC2(CCCC2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)O

Isomeric SMILES

[Li].CS(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=CC=C1)P(=O)(CC2(CCCC2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)O

InChI

InChI=1S/C33H46N5O8PS.Li/c1-48(45,46)38-27(15-7-10-18-34)30(39)37-29(19-23-11-3-2-4-12-23)47(43,44)22-33(16-8-9-17-33)32(42)36-28(31(40)41)20-24-21-35-26-14-6-5-13-25(24)26;/h2-6,11-14,21,27-29,35,38H,7-10,15-20,22,34H2,1H3,(H,36,42)(H,37,39)(H,40,41)(H,43,44);/t27-,28-,29+;/m0./s1