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

Structural Information

Molecular Formula

C₅₄H₈₀N₁₂O₂₂

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](CO)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/C54H80N12O22/c1-7-9-30(44(78)53(87)56-22-38(71)58-36(24-68)50(84)62-34(21-41(76)77)49(83)61-33(20-28-11-13-29(70)14-12-28)48(82)63-35(23-67)45(55)79)59-51(85)37-10-8-19-66(37)54(88)43(26(4)5)65-52(86)42(25(2)3)64-47(81)32(16-18-40(74)75)60-46(80)31(57-27(6)69)15-17-39(72)73/h11-14,25-26,30-37,42-43,67-68,70H,7-10,15-24H2,1-6H3,(H2,55,79)(H,56,87)(H,57,69)(H,58,71)(H,59,85)(H,60,80)(H,61,83)(H,62,84)(H,63,82)(H,64,81)(H,65,86)(H,72,73)(H,74,75)(H,76,77)/t30-,31-,32-,33-,34+,35-,36-,37?,42-,43-/m0/s1

InChIKey

SMKAPCLRMRFWDB-YILUKGNNSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[(3S)-1-[[2-[[(2S)-1-[[(2R)-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-oxopropan-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 504393
• CID 504398
• CID 504399