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

Structural Information

Molecular Formula

C₅₅H₈₄N₁₂O₂₀S

SMILES

CC(C)[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/C55H84N12O20S/c1-26(2)42(45(77)54(86)57-23-39(72)59-34(19-21-88-8)48(80)63-37(25-69)51(83)61-35(22-30-11-13-31(71)14-12-30)50(82)62-36(24-68)46(56)78)64-52(84)38-10-9-20-67(38)55(87)44(28(5)6)66-53(85)43(27(3)4)65-49(81)33(16-18-41(75)76)60-47(79)32(58-29(7)70)15-17-40(73)74/h11-14,26-28,32-38,42-44,68-69,71H,9-10,15-25H2,1-8H3,(H2,56,78)(H,57,86)(H,58,70)(H,59,72)(H,60,79)(H,61,83)(H,62,82)(H,63,80)(H,64,84)(H,65,81)(H,66,85)(H,73,74)(H,75,76)/t32-,33-,34-,35-,36-,37-,38?,42-,43-,44-/m0/s1

InChIKey

PCUDPFWKHBSJDT-FPTZEQBDSA-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-methyl-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 504405