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

Structural Information

Molecular Formula

C₅₆H₈₂N₁₄O₂₀

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](CO)C(=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/C56H82N14O20/c1-7-9-33(63-53(87)40-10-8-19-70(40)56(90)45(28(4)5)69-54(88)44(27(2)3)68-49(83)35(16-18-43(78)79)64-48(82)34(61-29(6)73)15-17-42(76)77)46(80)55(89)59-23-41(75)62-39(25-72)52(86)66-37(21-31-22-58-26-60-31)51(85)65-36(20-30-11-13-32(74)14-12-30)50(84)67-38(24-71)47(57)81/h11-14,22,26-28,33-40,44-45,71-72,74H,7-10,15-21,23-25H2,1-6H3,(H2,57,81)(H,58,60)(H,59,89)(H,61,73)(H,62,75)(H,63,87)(H,64,82)(H,65,85)(H,66,86)(H,67,84)(H,68,83)(H,69,88)(H,76,77)(H,78,79)/t33-,34-,35-,36-,37+,38-,39-,40?,44-,45-/m0/s1

InChIKey

DHMPOTUKLXOTIJ-XGWQUOHXSA-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-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-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 504392
• CID 504396
• CID 504397