Ac-eevvp-abu-(co)-gmsys-am

Structural Information

Molecular Formula

C₅₄H₈₂N₁₂O₂₀S

SMILES

CC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)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/C54H82N12O20S/c1-8-31(44(76)53(85)56-23-39(71)58-34(19-21-87-7)47(79)63-37(25-68)50(82)61-35(22-29-11-13-30(70)14-12-29)49(81)62-36(24-67)45(55)77)59-51(83)38-10-9-20-66(38)54(86)43(27(4)5)65-52(84)42(26(2)3)64-48(80)33(16-18-41(74)75)60-46(78)32(57-28(6)69)15-17-40(72)73/h11-14,26-27,31-38,42-43,67-68,70H,8-10,15-25H2,1-7H3,(H2,55,77)(H,56,85)(H,57,69)(H,58,71)(H,59,83)(H,60,78)(H,61,82)(H,62,81)(H,63,79)(H,64,80)(H,65,84)(H,72,73)(H,74,75)/t31-,32-,33-,34-,35-,36-,37-,38?,42-,43-/m0/s1

InChIKey

SVXKERCPMLWLCR-OZUBOMRUSA-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]-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 504408