GAN

2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER


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Chemical Component Summary

Name2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER
Identifiersmethyl (2S)-2-[[(2S)-2-[[(2S)-2-[(1R,3R)-5-[(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]-3-(phenylmethyl)-2,3,6,7-tetrahydroazepin-1-yl]propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoate
FormulaC32 H51 N5 O5
Molecular Weight585.778
TypeNON-POLYMER
Isomeric SMILESCC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C)[N@@]1CCC(=C[C@H](C1)Cc2ccccc2)[C@H](C)NC(=O)[C@H](C)N
InChIInChI=1S/C32H51N5O5/c1-19(2)27(31(40)36-28(20(3)4)32(41)42-8)35-30(39)23(7)37-15-14-26(22(6)34-29(38)21(5)33)17-25(18-37)16-24-12-10-9-11-13-24/h9-13,17,19-23,25,27-28H,14-16,18,33H2,1-8H3,(H,34,38)(H,35,39)(H,36,40)/t21-,22-,23-,25+,27-,28-/m0/s1
InChIKeyAAROLUGLGDXGEZ-CFILSVQKSA-N

Chemical Details

Formal Charge0
Atom Count93
Chiral Atom Count6
Bond Count94
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 6323324
ChEMBL CHEMBL506279