(4s)-4-amino-5-[[(1s)-1-[[(1s)-1-[[(1s)-1-[[(1s)-2-[[(1s)-1-[[(1s)-1-formyl-2-(2-thienyl)ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₃₉H₄₆N₈O₁₇S

SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CS3)C=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C39H46N8O17S/c40-22(7-8-29(49)50)34(59)43-26(13-31(53)54)37(62)46-28(15-33(57)58)39(64)47-27(14-32(55)56)38(63)44-24(10-18-16-41-23-6-2-1-5-21(18)23)36(61)45-25(12-30(51)52)35(60)42-19(17-48)11-20-4-3-9-65-20/h1-6,9,16-17,19,22,24-28,41H,7-8,10-15,40H2,(H,42,60)(H,43,59)(H,44,63)(H,45,61)(H,46,62)(H,47,64)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)/t19-,22-,24-,25-,26-,27-,28-/m0/s1

InChIKey

QYVCMZZUBDQORY-WGJXPKRGSA-N

Compound name

(4S)-4-amino-5-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-oxo-1-[[(2S)-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49769925