Ac-glu-asp-val-val-leu-cys-tic-nle-ser-tyr-nh2

Structural Information

Molecular Formula

C₅₈H₈₅N₁₁O₁₈S

SMILES

CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NOC(=O)[C@@H]2CC3=CC=CC=C3C(N2)C(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)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/C58H85N11O18S/c1-9-10-15-37(52(80)65-42(26-70)55(83)62-38(50(59)78)23-32-16-18-34(72)19-17-32)69-87-58(86)41-24-33-13-11-12-14-35(33)48(61-41)49(77)43(27-88)66-53(81)39(22-28(2)3)64-56(84)46(29(4)5)68-57(85)47(30(6)7)67-54(82)40(25-45(75)76)63-51(79)36(60-31(8)71)20-21-44(73)74/h11-14,16-19,28-30,36-43,46-48,61,69-70,72,88H,9-10,15,20-27H2,1-8H3,(H2,59,78)(H,60,71)(H,62,83)(H,63,79)(H,64,84)(H,65,80)(H,66,81)(H,67,82)(H,68,85)(H,73,74)(H,75,76)/t36-,37-,38-,39-,40-,41-,42-,43-,46-,47-,48?/m0/s1

InChIKey

KJAYOQQHEKPNNX-KQSJNUTGSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[(3S)-3-[[(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]oxycarbonyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-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 485541