Apaaadtptacc

Structural Information

Molecular Formula

C₄₃H₇₀N₁₂O₁₇S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)O

InChI

InChI=1S/C43H70N12O17S2/c1-17(44)41(69)54-12-8-10-27(54)38(66)47-19(3)33(61)45-18(2)32(60)46-20(4)34(62)49-24(14-29(58)59)36(64)53-31(23(7)57)42(70)55-13-9-11-28(55)39(67)52-30(22(6)56)40(68)48-21(5)35(63)50-25(15-73)37(65)51-26(16-74)43(71)72/h17-28,30-31,56-57,73-74H,8-16,44H2,1-7H3,(H,45,61)(H,46,60)(H,47,66)(H,48,68)(H,49,62)(H,50,63)(H,51,65)(H,52,67)(H,53,64)(H,58,59)(H,71,72)/t17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28-,30-,31-/m0/s1

InChIKey

VWZDXOHAHVIVDQ-YBTPUDFRSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-[[(2S,3R)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-1-[[(2R)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 6320194