Chembl412724

Structural Information

Molecular Formula

C₄₁H₇₄N₁₄O₁₄S₂

SMILES

C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)N

InChI

InChI=1S/C41H74N14O14S2/c1-20(2)14-25(37(65)48-22(8-4-6-12-42)34(62)47-16-31(46)58)51-36(64)24(10-11-30(45)57)50-40(68)28(18-70)54-35(63)23(9-5-7-13-43)49-38(66)26(15-32(59)60)52-41(69)29(19-71)55-39(67)27(17-56)53-33(61)21(3)44/h20-29,56,70-71H,4-19,42-44H2,1-3H3,(H2,45,57)(H2,46,58)(H,47,62)(H,48,65)(H,49,66)(H,50,68)(H,51,64)(H,52,69)(H,53,61)(H,54,63)(H,55,67)(H,59,60)/t21-,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1

InChIKey

CLWLKOQQAZUNOH-NVRHUXBUSA-N

Compound name

(3S)-4-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 11846801