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

Structural Information

Molecular Formula

C₅₅H₈₀N₁₄O₁₉

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N)NC(=O)C3CCCN3C(=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/C55H80N14O19/c1-7-9-33(46(79)54(87)59-23-40(73)58-24-41(74)62-37(21-31-22-57-26-60-31)51(84)65-36(20-30-11-13-32(72)14-12-30)50(83)66-38(25-70)47(56)80)63-52(85)39-10-8-19-69(39)55(88)45(28(4)5)68-53(86)44(27(2)3)67-49(82)35(16-18-43(77)78)64-48(81)34(61-29(6)71)15-17-42(75)76/h11-14,22,26-28,33-39,44-45,70,72H,7-10,15-21,23-25H2,1-6H3,(H2,56,80)(H,57,60)(H,58,73)(H,59,87)(H,61,71)(H,62,74)(H,63,85)(H,64,81)(H,65,84)(H,66,83)(H,67,82)(H,68,86)(H,75,76)(H,77,78)/t33-,34-,35-,36-,37-,38-,39?,44-,45-/m0/s1

InChIKey

BCMIYJBXJVHWAV-MXHAEEJYSA-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-(1H-imidazol-5-yl)-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 504373
• CID 504374