(Q27096963)

3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (English)

4 October 2016

chemical formula

C₂₁H₂₉N₃O₇

1 reference

3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (English)

4 October 2016

canonical SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)C)NC(=O)OCC1=CC=CC=C1

1 reference

3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (English)

4 October 2016

isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)C)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1

1 reference

3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (English)

InChI=1S/C21H29N3O7/c1-12(2)18(24-21(30)31-11-15-8-6-5-7-9-15)20(29)22-13(3)19(28)23-16(14(4)25)10-17(26)27/h5-9,12-13,16,18H,10-11H2,1-4H3,(H,22,29)(H,23,28)(H,24,30)(H,26,27)/t13-,16-,18-/m0/s1

4 October 2016

Identifiers

InChI

1 reference

3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (English)

CYBAOBDVBPVSDJ-OWQGQXMQSA-N

4 October 2016

InChIKey

1 reference

3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (English)

4 October 2016

1 reference

N-[(Benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-3-oxo-2-butanyl]-L-alaninamide (English)

4 October 2016

2 references

3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (English)

matched by identifier from

4 October 2016

InChIKey

CYBAOBDVBPVSDJ-OWQGQXMQSA-N

1 reference

1 reference