(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-sulfanyl-propanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-sulfanyl-ethyl]carbamoyl]propanoic acid
Molecular Formula:
C41H58N10O11S2
InChI: InChI=1/C41H58N10O11S2/c1-6-21(4)34(40(60)49-30(41(61)62)12-23-15-43-26-10-8-7-9-25(23)26)51-39(59)32(18-64)50-37(57)29(14-33(53)54)48-35(55)27(11-20(2)3)46-36(56)28(13-24-16-42-19-44-24)47-38(58)31(17-63)45-22(5)52/h7-10,15-16,19-21,27-32,34,43,63-64H,6,11-14,17-18H2,1-5H3,(H,42,44)(H,45,52)(H,46,56)(H,47,58)(H,48,55)(H,49,60)(H,50,57)(H,51,59)(H,53,54)(H,61,62)/t21-,27-,28-,29-,30-,31-,32-,34-/m0/s1/f/h44-51,53,61H
InChIKey: InChIKey=NWWCYCPIRTYUIM-DBOMSRRODY
SMILES: CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CS)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CN=CN3)NC(=O)C(CS)NC(=O)C
Names:
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-sulfanyl-propanoyl]amino]-3-(3H-imidazol-4-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-sulfanyl-ethyl]carbamoyl]propanoic acid
Registries:
PubChem CID 10440853
PubChem ID 15460683
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