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

Structural Information

Molecular Formula

C₅₆H₈₁N₁₁O₁₈S

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)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/C56H81N11O18S/c1-8-10-15-36(51(79)63-40(25-68)53(81)61-37(48(57)76)22-30-16-18-32(70)19-17-30)67-85-56(84)39-23-31-13-11-12-14-33(31)46(59-39)47(75)41(26-86)64-49(77)34(9-2)60-54(82)44(27(3)4)66-55(83)45(28(5)6)65-52(80)38(24-43(73)74)62-50(78)35(58-29(7)69)20-21-42(71)72/h11-14,16-19,27-28,34-41,44-46,59,67-68,70,86H,8-10,15,20-26H2,1-7H3,(H2,57,76)(H,58,69)(H,60,82)(H,61,81)(H,62,78)(H,63,79)(H,64,77)(H,65,80)(H,66,83)(H,71,72)(H,73,74)/t34-,35-,36-,37-,38-,39-,40-,41-,44-,45-,46?/m0/s1

InChIKey

DHPABOLJRGNRKY-WFGDTZSWSA-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]-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 485540