Aplaadtptacc

Structural Information

Molecular Formula

C₄₆H₇₆N₁₂O₁₇S₂

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

InChI

InChI=1S/C46H76N12O17S2/c1-19(2)15-26(52-41(69)30-11-9-13-57(30)44(72)20(3)47)38(66)49-21(4)35(63)48-22(5)36(64)51-27(16-32(61)62)39(67)56-34(25(8)60)45(73)58-14-10-12-31(58)42(70)55-33(24(7)59)43(71)50-23(6)37(65)53-28(17-76)40(68)54-29(18-77)46(74)75/h19-31,33-34,59-60,76-77H,9-18,47H2,1-8H3,(H,48,63)(H,49,66)(H,50,71)(H,51,64)(H,52,69)(H,53,65)(H,54,68)(H,55,70)(H,56,67)(H,61,62)(H,74,75)/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,33-,34-/m0/s1

InChIKey

XAWCYFHIOCWWFL-YLGHOYJCSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]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 6320192