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

Structural Information

Molecular Formula

C₅₆H₈₄N₁₂O₂₁S

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](CCSC)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/C56H84N12O21S/c1-8-10-32(46(79)55(88)58-25-40(72)60-35(20-22-90-7)49(82)64-37(24-43(77)78)52(85)63-36(23-30-12-14-31(71)15-13-30)51(84)65-38(26-69)47(57)80)61-53(86)39-11-9-21-68(39)56(89)45(28(4)5)67-54(87)44(27(2)3)66-50(83)34(17-19-42(75)76)62-48(81)33(59-29(6)70)16-18-41(73)74/h12-15,27-28,32-39,44-45,69,71H,8-11,16-26H2,1-7H3,(H2,57,80)(H,58,88)(H,59,70)(H,60,72)(H,61,86)(H,62,81)(H,63,85)(H,64,82)(H,65,84)(H,66,83)(H,67,87)(H,73,74)(H,75,76)(H,77,78)/t32-,33-,34-,35-,36-,37+,38-,39?,44-,45-/m0/s1

InChIKey

PTXSBNMRLSYIDY-NOLPMONKSA-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]-4-methylsulfanyl-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 504366
• CID 504370
• CID 504371