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

Structural Information

Molecular Formula

C₅₇H₈₄N₁₄O₂₀

SMILES

CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](C(C)O)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/C57H84N14O20/c1-8-10-34(63-53(87)40-11-9-20-71(40)57(91)45(28(4)5)70-54(88)44(27(2)3)69-50(84)36(17-19-43(79)80)64-49(83)35(62-30(7)74)16-18-42(77)78)47(81)56(90)60-24-41(76)68-46(29(6)73)55(89)66-38(22-32-23-59-26-61-32)52(86)65-37(21-31-12-14-33(75)15-13-31)51(85)67-39(25-72)48(58)82/h12-15,23,26-29,34-40,44-46,72-73,75H,8-11,16-22,24-25H2,1-7H3,(H2,58,82)(H,59,61)(H,60,90)(H,62,74)(H,63,87)(H,64,83)(H,65,86)(H,66,89)(H,67,85)(H,68,76)(H,69,84)(H,70,88)(H,77,78)(H,79,80)/t29?,34-,35-,36-,37-,38-,39-,40?,44-,45-,46-/m0/s1

InChIKey

ZWIBVCNZNUWZAG-SDUAFVLSSA-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-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-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 504388