Aplaadtpaacc

Structural Information

Molecular Formula

C₄₅H₇₄N₁₂O₁₆S₂

SMILES

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)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](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/C45H74N12O16S2/c1-19(2)15-26(52-42(69)31-12-9-13-56(31)43(70)20(3)46)38(65)49-21(4)34(61)47-23(6)36(63)51-27(16-32(59)60)39(66)55-33(25(8)58)44(71)57-14-10-11-30(57)41(68)50-22(5)35(62)48-24(7)37(64)53-28(17-74)40(67)54-29(18-75)45(72)73/h19-31,33,58,74-75H,9-18,46H2,1-8H3,(H,47,61)(H,48,62)(H,49,65)(H,50,68)(H,51,63)(H,52,69)(H,53,64)(H,54,67)(H,55,66)(H,59,60)(H,72,73)/t20-,21-,22-,23-,24-,25+,26-,27-,28-,29-,30-,31-,33-/m0/s1

InChIKey

LXYXMVULBYBRLG-PZUJFGOXSA-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)-1-[[(2S)-1-[[(2R)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 6320198