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

Structural Information

Molecular Formula

C₅₃H₇₈N₁₂O₂₁

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)NCC(=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/C53H78N12O21/c1-7-9-30(44(77)52(85)56-22-37(69)55-23-38(70)58-34(21-41(75)76)49(82)61-33(20-28-11-13-29(68)14-12-28)48(81)62-35(24-66)45(54)78)59-50(83)36-10-8-19-65(36)53(86)43(26(4)5)64-51(84)42(25(2)3)63-47(80)32(16-18-40(73)74)60-46(79)31(57-27(6)67)15-17-39(71)72/h11-14,25-26,30-36,42-43,66,68H,7-10,15-24H2,1-6H3,(H2,54,78)(H,55,69)(H,56,85)(H,57,67)(H,58,70)(H,59,83)(H,60,79)(H,61,82)(H,62,81)(H,63,80)(H,64,84)(H,71,72)(H,73,74)(H,75,76)/t30-,31-,32-,33-,34-,35-,36?,42-,43-/m0/s1

InChIKey

XGSMRZPRQGEJSZ-HGHGGDAHSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[2-[[(3S)-1-[[2-[[2-[[(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]-2-oxoethyl]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 504375
• CID 504376