Chembl165060

Structural Information

Molecular Formula

C₄₁H₆₅N₁₁O₁₃

SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C41H65N11O13/c1-18(2)13-26(34(44)58)48-39(63)28(16-31(56)57)49-38(62)27(15-29(43)54)50-40(64)32(19(3)4)52-41(65)33(20(5)6)51-36(60)22(8)46-30(55)17-45-35(59)21(7)47-37(61)25(42)14-23-9-11-24(53)12-10-23/h9-12,18-22,25-28,32-33,53H,13-17,42H2,1-8H3,(H2,43,54)(H2,44,58)(H,45,59)(H,46,55)(H,47,61)(H,48,63)(H,49,62)(H,50,64)(H,51,60)(H,52,65)(H,56,57)/t21-,22-,25-,26-,27-,28-,32-,33-/m0/s1

InChIKey

MTECEAKQYQWUJQ-CEDRMGBBSA-N

Compound name

(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 6320476