Ac-asp-d-glu-leu-ile-cha-cys-pro-nle-ser-leu-nh2

Structural Information

Molecular Formula

C₅₂H₈₉N₁₁O₁₅S

SMILES

CCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C52H89N11O15S/c1-8-14-32(45(71)60-37(25-64)49(75)57-34(43(54)69)21-27(3)4)56-50(76)39-17-13-20-63(39)52(78)38(26-79)61-47(73)36(23-30-15-11-10-12-16-30)59-51(77)42(29(7)9-2)62-48(74)35(22-28(5)6)58-46(72)33(18-19-40(65)66)55-44(70)31(53)24-41(67)68/h27-39,42,64,79H,8-26,53H2,1-7H3,(H2,54,69)(H,55,70)(H,56,76)(H,57,75)(H,58,72)(H,59,77)(H,60,71)(H,61,73)(H,62,74)(H,65,66)(H,67,68)/t29-,31-,32-,33+,34-,35-,36-,37-,38-,39-,42-/m0/s1

InChIKey

PUMNMMZHFWYQES-XQOHZCBVSA-N

Compound name

(4R)-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485579