Sfigmesa

Structural Information

Molecular Formula

C₃₆H₅₆N₈O₁₃S

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)N

InChI

InChI=1S/C36H56N8O13S/c1-5-19(2)29(44-33(53)25(42-30(50)22(37)17-45)15-21-9-7-6-8-10-21)35(55)38-16-27(47)40-24(13-14-58-4)32(52)41-23(11-12-28(48)49)31(51)43-26(18-46)34(54)39-20(3)36(56)57/h6-10,19-20,22-26,29,45-46H,5,11-18,37H2,1-4H3,(H,38,55)(H,39,54)(H,40,47)(H,41,52)(H,42,50)(H,43,51)(H,44,53)(H,48,49)(H,56,57)/t19-,20-,22-,23-,24-,25-,26-,29-/m0/s1

InChIKey

BVRVGDDVIOSKQF-IJTSGXKASA-N

Compound name

(4S)-4-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 476653