Ssggdpeivthsgnc

Structural Information

Molecular Formula

C₅₇H₉₀N₁₈O₂₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)N

InChI

InChI=1S/C57H90N18O25S/c1-6-25(4)44(73-49(91)29(9-10-41(84)85)67-52(94)36-8-7-11-75(36)56(98)32(14-42(86)87)66-39(82)17-61-38(81)16-62-47(89)33(20-77)69-46(88)28(58)19-76)54(96)72-43(24(2)3)53(95)74-45(26(5)79)55(97)68-30(12-27-15-60-23-64-27)50(92)70-34(21-78)48(90)63-18-40(83)65-31(13-37(59)80)51(93)71-35(22-101)57(99)100/h15,23-26,28-36,43-45,76-79,101H,6-14,16-22,58H2,1-5H3,(H2,59,80)(H,60,64)(H,61,81)(H,62,89)(H,63,90)(H,65,83)(H,66,82)(H,67,94)(H,68,97)(H,69,88)(H,70,92)(H,71,93)(H,72,96)(H,73,91)(H,74,95)(H,84,85)(H,86,87)(H,99,100)/t25-,26+,28-,29-,30-,31-,32-,33-,34-,35-,36-,43-,44-,45-/m0/s1

InChIKey

JKCPDGSOWDHQGO-SEVLBNCFSA-N

Compound name

(4S)-5-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 452674