Ac-glu-asp-val-val-alpha-aminobutyric acid-cys-pro-norleu-ser-tyr-leu-nh2

Structural Information

Molecular Formula

C₅₁H₇₇F₂N₁₁O₁₇S

SMILES

CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](CC(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C51H77F2N11O17S/c1-7-8-10-29(43(73)60-34(22-65)47(77)57-31(42(54)72)19-27-12-14-28(67)15-13-27)56-48(78)36-11-9-18-64(36)51(81)35(23-82)61-45(75)32(20-37(52)53)59-49(79)40(24(2)3)63-50(80)41(25(4)5)62-46(76)33(21-39(70)71)58-44(74)30(55-26(6)66)16-17-38(68)69/h12-15,24-25,29-37,40-41,65,67,82H,7-11,16-23H2,1-6H3,(H2,54,72)(H,55,66)(H,56,78)(H,57,77)(H,58,74)(H,59,79)(H,60,73)(H,61,75)(H,62,76)(H,63,80)(H,68,69)(H,70,71)/t29-,30-,31-,32-,33-,34-,35-,36-,40-,41-/m0/s1

InChIKey

BGKZHZBOASVYQZ-MUXOLMAGSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-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]-4,4-difluoro-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 497615