Ddsvvaamsysha

Structural Information

Molecular Formula

C₅₆H₈₅N₁₅O₂₂S

SMILES

C[C@@H](C(=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[C@@H](CC2=CN=CN2)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C56H85N15O22S/c1-24(2)42(71-55(91)43(25(3)4)70-53(89)39(22-74)69-50(86)36(18-41(78)79)64-46(82)32(57)17-40(76)77)54(90)61-26(5)44(80)60-27(6)45(81)63-33(13-14-94-8)47(83)67-37(20-72)51(87)65-34(15-29-9-11-31(75)12-10-29)49(85)68-38(21-73)52(88)66-35(16-30-19-58-23-59-30)48(84)62-28(7)56(92)93/h9-12,19,23-28,32-39,42-43,72-75H,13-18,20-22,57H2,1-8H3,(H,58,59)(H,60,80)(H,61,90)(H,62,84)(H,63,81)(H,64,82)(H,65,87)(H,66,88)(H,67,83)(H,68,85)(H,69,86)(H,70,89)(H,71,91)(H,76,77)(H,78,79)(H,92,93)/t26-,27-,28-,32-,33-,34-,35-,36-,37-,38-,39-,42-,43-/m0/s1

InChIKey

USMAGPJLSCEKEF-APLWTXKFSA-N

Compound name

(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]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]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16072934