Ac-eevvp-(s,s)allot-(co)-gmsys-am

Structural Information

Molecular Formula

C₅₄H₈₂N₁₂O₂₁S

SMILES

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCCC1C(=O)N[C@@H](C(C)O)C(=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C54H82N12O21S/c1-25(2)41(63-48(81)32(15-17-40(75)76)59-46(79)31(57-28(6)70)14-16-39(73)74)52(85)64-42(26(3)4)54(87)66-19-8-9-37(66)51(84)65-43(27(5)69)44(77)53(86)56-22-38(72)58-33(18-20-88-7)47(80)62-36(24-68)50(83)60-34(21-29-10-12-30(71)13-11-29)49(82)61-35(23-67)45(55)78/h10-13,25-27,31-37,41-43,67-69,71H,8-9,14-24H2,1-7H3,(H2,55,78)(H,56,86)(H,57,70)(H,58,72)(H,59,79)(H,60,83)(H,61,82)(H,62,80)(H,63,81)(H,64,85)(H,65,84)(H,73,74)(H,75,76)/t27?,31-,32-,33-,34-,35-,36-,37?,41-,42-,43-/m0/s1

InChIKey

WBPYWEPGYSWORG-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]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-hydroxy-1,2-dioxopentan-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 504409