Ac-asp-(d)glu-leu-ile-beta-cyclohexylalanine-cys-pro-norleu-ser-leu-nh2

Structural Information

Molecular Formula

C₅₅H₉₄N₁₂O₁₅S

SMILES

CCCC[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=C(C)N

InChI

InChI=1S/C55H94N12O15S/c1-9-11-18-34(47(74)64-40(27-68)52(79)61-36(46(57)73)23-29(3)4)60-53(80)42-19-15-22-67(42)55(82)41(28-83)65-49(76)38(25-33-16-13-12-14-17-33)63-54(81)45(31(7)10-2)66-51(78)37(24-30(5)6)62-48(75)35(20-21-43(69)70)59-50(77)39(26-44(71)72)58-32(8)56/h29-31,33-42,45,68,83H,9-28H2,1-8H3,(H2,56,58)(H2,57,73)(H,59,77)(H,60,80)(H,61,79)(H,62,75)(H,63,81)(H,64,74)(H,65,76)(H,66,78)(H,69,70)(H,71,72)/t31-,34-,35+,36-,37-,38-,39-,40-,41-,42-,45-/m0/s1

InChIKey

ZRGDGQHFFRYPHI-LYYGDHJJSA-N

Compound name

(4R)-4-[[(2S)-2-(1-aminoethylideneamino)-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-oxohexan-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 497620