Aplaadaptacc

Structural Information

Molecular Formula

C₄₅H₇₄N₁₂O₁₆S₂

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

InChIKey

QTTDNWUFFKSMLM-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)-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]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 6320196