Chembl163585

Structural Information

Molecular Formula

C₄₁H₆₄N₁₀O₁₄

SMILES

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

InChI

InChI=1S/C41H64N10O14/c1-9-20(6)33(41(64)65)51-38(61)27(16-30(55)56)47-37(60)26(15-28(43)53)48-39(62)31(18(2)3)50-40(63)32(19(4)5)49-35(58)22(8)45-29(54)17-44-34(57)21(7)46-36(59)25(42)14-23-10-12-24(52)13-11-23/h10-13,18-22,25-27,31-33,52H,9,14-17,42H2,1-8H3,(H2,43,53)(H,44,57)(H,45,54)(H,46,59)(H,47,60)(H,48,62)(H,49,58)(H,50,63)(H,51,61)(H,55,56)(H,64,65)/t20-,21-,22-,25-,26-,27-,31-,32-,33-/m0/s1

InChIKey

DYFAMEGYVWGYEK-OBXOOUDUSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(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]-3-carboxypropanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 6320485