(4s)-4-[[(2s)-2-acetamido-3-(benzothiophen-2-yl)propanoyl]amino]-5-[[(1s)-1-[[(1s)-1-(benzothiophen-2-ylmethyl)-2-[[(1s)-1-[[2-[[(1s)-1-(benzothiophen-2-ylmethyl)-2-[[(1s,2s)-1-carbamoyl-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₅₇H₆₇N₉O₁₃S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC2=CC=CC=C2S1)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC4=CC=CC=C4S3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CC6=CC=CC=C6S5)NC(=O)C

InChI

InChI=1S/C57H67N9O13S3/c1-6-30(4)50(51(58)73)66-55(77)40(25-36-22-33-14-8-11-17-44(33)81-36)61-46(68)28-59-57(79)49(29(2)3)65-56(78)41(26-37-23-34-15-9-12-18-45(34)82-37)63-54(76)42(27-48(71)72)64-52(74)38(19-20-47(69)70)62-53(75)39(60-31(5)67)24-35-21-32-13-7-10-16-43(32)80-35/h7-18,21-23,29-30,38-42,49-50H,6,19-20,24-28H2,1-5H3,(H2,58,73)(H,59,79)(H,60,67)(H,61,68)(H,62,75)(H,63,76)(H,64,74)(H,65,78)(H,66,77)(H,69,70)(H,71,72)/t30-,38-,39-,40-,41-,42-,49-,50-/m0/s1

InChIKey

XUOUDSRFGZAFON-FUQJMUMSSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-(1-benzothiophen-2-yl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-(1-benzothiophen-2-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1-benzothiophen-2-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 15958596