(2R)-2-[6-[[(2S)-2-[[(2S)-2-[3-[[1-[[(2S)-2-[[(2S)-2-[[(2S)-3-acetyloxy-2-azanyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]-oxidanyl-phosphoryl]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]hexanoylamino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[6-[[(2S)-2-[[(2S)-2-[3-[[1-[[(2S)-2-[[(2S)-2-[[(2S)-3-acetyloxy-2-azanyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]-oxidanyl-phosphoryl]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]hexanoylamino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[6-[[(2S)-2-[[(2S)-2-[3-[[1-[[(2S)-2-[[(2S)-2-[[(2S)-3-acetoxy-2-amino-propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]-hydroxy-phosphoryl]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]hexanoylamino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[6-[[(2S)-2-[[(2S)-2-[[3-[[1-[[(2S)-2-[[(2S)-2-[[(2S)-3-acetyloxy-2-amino-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-2-phenylethyl]-hydroxyphosphoryl]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[6-[[(2S)-2-[[(2S)-2-[3-[[1-[[(2S)-2-[[(2S)-2-[[(2S)-3-acetyloxy-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]-2-phenylethyl]-hydroxyphosphoryl]propanoylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoylamino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[6-[[(2S)-2-[[(2S)-2-[3-[[1-[[(2S)-2-[[(2S)-2-[[(2S)-3-acetoxy-2-amino-propanoyl]amino]propanoyl]amino]propanoyl]amino]-2-phenyl-ethyl]-hydroxy-phosphoryl]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]hexanoylamino]-3-mercapto-propionic acid Formula: C41H67N8O13PS MolecularWeight: 943.055241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NCCCCCC(=O)NC(CS)C(=O)O)NC(=O)CCP(=O)(C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(COC(=O)C)N)O

Isomeric SMILES

C[C@@H](C(=O)NC(CC1=CC=CC=C1)P(=O)(CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCCC(=O)N[C@@H](CS)C(=O)O)O)NC(=O)[C@H](C)NC(=O)[C@H](COC(=O)C)N

InChI

InChI=1S/C41H67N8O13PS/c1-23(2)34(39(56)43-18-13-9-12-16-31(51)46-30(22-64)41(58)59)49-40(57)35(24(3)4)47-32(52)17-19-63(60,61)33(20-28-14-10-8-11-15-28)48-37(54)26(6)44-36(53)25(5)45-38(55)29(42)21-62-27(7)50/h8,10-11,14-15,23-26,29-30,33-35,64H,9,12-13,16-22,42H2,1-7H3,(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,47,52)(H,48,54)(H,49,57)(H,58,59)(H,60,61)/t25-,26-,29-,30-,33?,34-,35-/m0/s1