Aalaadtptacc

Structural Information

Molecular Formula

C₄₄H₇₄N₁₂O₁₇S₂

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](C)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C44H74N12O17S2/c1-17(2)13-25(50-35(63)20(5)46-33(61)18(3)45)38(66)48-19(4)34(62)47-21(6)36(64)51-26(14-30(59)60)39(67)55-32(24(9)58)43(71)56-12-10-11-29(56)41(69)54-31(23(8)57)42(70)49-22(7)37(65)52-27(15-74)40(68)53-28(16-75)44(72)73/h17-29,31-32,57-58,74-75H,10-16,45H2,1-9H3,(H,46,61)(H,47,62)(H,48,66)(H,49,70)(H,50,63)(H,51,64)(H,52,65)(H,53,68)(H,54,69)(H,55,67)(H,59,60)(H,72,73)/t18-,19-,20-,21-,22-,23+,24+,25-,26-,27-,28-,29-,31-,32-/m0/s1

InChIKey

SFCYDRSBBPFFSM-DSNDVFOWSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]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 6320193