Ac-eevvp-nv-(co)-gtsys-am

Structural Information

Molecular Formula

C₅₄H₈₂N₁₂O₂₁

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](C(C)O)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/C54H82N12O21/c1-8-10-31(44(77)53(86)56-22-38(72)63-43(27(6)69)52(85)62-36(24-68)49(82)60-34(21-29-12-14-30(71)15-13-29)48(81)61-35(23-67)45(55)78)58-50(83)37-11-9-20-66(37)54(87)42(26(4)5)65-51(84)41(25(2)3)64-47(80)33(17-19-40(75)76)59-46(79)32(57-28(7)70)16-18-39(73)74/h12-15,25-27,31-37,41-43,67-69,71H,8-11,16-24H2,1-7H3,(H2,55,78)(H,56,86)(H,57,70)(H,58,83)(H,59,79)(H,60,82)(H,61,81)(H,62,85)(H,63,72)(H,64,80)(H,65,84)(H,73,74)(H,75,76)/t27?,31-,32-,33-,34-,35-,36-,37?,41-,42-,43-/m0/s1

InChIKey

DFUPMPRLGBWIHS-LBYKIBODSA-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]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-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 504386
• CID 504387