Chemical Component Summary

Name5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE
Identifiersethyl (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]amino]-5-carbamimidamido-1-oxo-pentan-2-yl]amino]-4-cyano-1-oxo-butan-2-yl]amino]-3-hydroxy-4-oxo-butanoate
FormulaC28 H39 N9 O7
Molecular Weight613.665
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)NC(=O)[C@H](CC(=O)OCC)O
InChIInChI=1S/C28H39N9O7/c1-2-44-23(39)14-22(38)27(43)36-19(9-5-11-29)25(41)35-20(10-6-12-33-28(31)32)26(42)37-21(24(30)40)13-16-15-34-18-8-4-3-7-17(16)18/h3-4,7-8,15,19-22,34,38H,2,5-6,9-10,12-14H2,1H3,(H2,30,40)(H,35,41)(H,36,43)(H,37,42)(H4,31,32,33)/t19-,20-,21-,22-/m0/s1
InChIKeyQRCIRXHNWBRPBN-CMOCDZPBSA-N

Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count4
Bond Count84
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 49867397