Aplaadtatacc

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](C)NC(=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]1CCCN1C(=O)[C@H](C)N)O

InChI

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

InChIKey

OASNYRMPPZPNKS-DSNDVFOWSA-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)-1-[[(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]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 6320197