D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-prolinamide (Q27095745)

D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-prolinamide (English)

4 October 2016

chemical formula

C₂₁H₃₂ClN₆O₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NC(CCC[NH+]=C(N)N)C(=O)CCl

1 reference

D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-prolinamide (English)

4 October 2016

isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)N)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)CCl

1 reference

D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-prolinamide (English)

InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/p+1/t15-,16+,17+/m1/s1

4 October 2016

Identifiers

InChI

1 reference

D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-prolinamide (English)

KWPACVJPAFGBEQ-IKGGRYGDSA-O

4 October 2016

InChIKey

1 reference

D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-prolinamide (English)

4 October 2016

1 reference

Phe-Pro-Arg-Chloromethylketone (English)

4 October 2016

1 reference

D-Phenylalanyl-N-[(3R)-6-carbamimidamido-1-chloro-2-oxo-3-hexanyl]-D-prolinamide (English)

4 October 2016

1 reference

phenylalanyl-prolyl-arginyl-chloromethane (English)

4 October 2016

1 reference

L-Phenylalanyl-N-{(3S)-1-chloro-6-[(diaminomethylene)amino]-2-oxo-3-hexanyl}-L-prolinamide (English)

4 October 2016

1 reference

D-Phenylalanyl-N-(6-carbamimidamido-1-chloro-2-oxo-3-hexanyl)-L-prolinamide (English)

4 October 2016

1 reference

D-Phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxo-3-hexanyl]-D-prolinamide (English)

4 October 2016

2 references

D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-1-(chloroacetyl)butyl]-L-prolinamide (English)