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

Structural Information

Molecular Formula

C₅₅H₈₂N₁₂O₂₂

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(=O)O)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/C55H82N12O22/c1-8-10-31(45(79)54(88)57-23-38(72)64-44(27(6)69)53(87)62-35(22-41(77)78)50(84)61-34(21-29-12-14-30(71)15-13-29)49(83)63-36(24-68)46(56)80)59-51(85)37-11-9-20-67(37)55(89)43(26(4)5)66-52(86)42(25(2)3)65-48(82)33(17-19-40(75)76)60-47(81)32(58-28(7)70)16-18-39(73)74/h12-15,25-27,31-37,42-44,68-69,71H,8-11,16-24H2,1-7H3,(H2,56,80)(H,57,88)(H,58,70)(H,59,85)(H,60,81)(H,61,84)(H,62,87)(H,63,83)(H,64,72)(H,65,82)(H,66,86)(H,73,74)(H,75,76)(H,77,78)/t27?,31-,32-,33-,34-,35-,36-,37?,42-,43-,44-/m0/s1

InChIKey

ORFUAZKFXFZNHD-RJCHNMHXSA-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-carboxy-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 504389
• CID 504390