Ac-eevvp-l-(co)-gmsys-am

Structural Information

Molecular Formula

C₅₆H₈₆N₁₂O₂₀S

SMILES

CC(C)C[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N)NC(=O)C2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C56H86N12O20S/c1-27(2)22-36(46(78)55(87)58-24-41(73)60-35(19-21-89-8)49(81)65-39(26-70)52(84)63-37(23-31-11-13-32(72)14-12-31)51(83)64-38(25-69)47(57)79)62-53(85)40-10-9-20-68(40)56(88)45(29(5)6)67-54(86)44(28(3)4)66-50(82)34(16-18-43(76)77)61-48(80)33(59-30(7)71)15-17-42(74)75/h11-14,27-29,33-40,44-45,69-70,72H,9-10,15-26H2,1-8H3,(H2,57,79)(H,58,87)(H,59,71)(H,60,73)(H,61,80)(H,62,85)(H,63,84)(H,64,83)(H,65,81)(H,66,82)(H,67,86)(H,74,75)(H,76,77)/t33-,34-,35-,36-,37-,38-,39-,40?,44-,45-/m0/s1

InChIKey

XNPHXTSEBTVSAX-JTPMHIPUSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[(3S)-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]-5-methyl-1,2-dioxohexan-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 504406