Ac-eevvp-g(propynyl)-(co)-gmsys-am

Structural Information

Molecular Formula

C₅₅H₈₂N₁₂O₂₀S

SMILES

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)NC(CC=C)C(=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C55H82N12O20S/c1-8-10-32(45(77)54(86)57-24-40(72)59-35(20-22-88-7)48(80)64-38(26-69)51(83)62-36(23-30-12-14-31(71)15-13-30)50(82)63-37(25-68)46(56)78)60-52(84)39-11-9-21-67(39)55(87)44(28(4)5)66-53(85)43(27(2)3)65-49(81)34(17-19-42(75)76)61-47(79)33(58-29(6)70)16-18-41(73)74/h8,12-15,27-28,32-39,43-44,68-69,71H,1,9-11,16-26H2,2-7H3,(H2,56,78)(H,57,86)(H,58,70)(H,59,72)(H,60,84)(H,61,79)(H,62,83)(H,63,82)(H,64,80)(H,65,81)(H,66,85)(H,73,74)(H,75,76)/t32?,33-,34-,35-,36-,37-,38-,39?,43-,44-/m0/s1

InChIKey

LDUGTNORGXQIPC-OKTJPICDSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,2-dioxohex-5-en-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 504410