Ac-glu-asp-val-val-abu-cys(me)-ala-nle-ser-tyr-nh2

Structural Information

Molecular Formula

C₅₀H₇₉N₁₁O₁₇S

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](C)NC(=O)[C@H](CS)N(C)C(=O)[C@H](CC)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/C50H79N11O17S/c1-10-12-13-31(43(71)58-35(22-62)46(74)56-33(41(51)69)20-28-14-16-29(64)17-15-28)55-42(70)26(7)52-47(75)36(23-79)61(9)50(78)30(11-2)54-48(76)39(24(3)4)60-49(77)40(25(5)6)59-45(73)34(21-38(67)68)57-44(72)32(53-27(8)63)18-19-37(65)66/h14-17,24-26,30-36,39-40,62,64,79H,10-13,18-23H2,1-9H3,(H2,51,69)(H,52,75)(H,53,63)(H,54,76)(H,55,70)(H,56,74)(H,57,72)(H,58,71)(H,59,73)(H,60,77)(H,65,66)(H,67,68)/t26-,30-,31-,32-,33-,34-,35-,36-,39-,40-/m0/s1

InChIKey

WAENMOPVTLGNQZ-VMAPDBHBSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(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]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]-methylamino]-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 485538