Chemical Compound

J1.996.795F

J1.996.795F chemical structure
Primary Record

J1.996.795F

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177447437
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)SCCC(=O)OCC)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)OC(C)(C)C
Canonical SMILES
CCOC(=O)CCSC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C

Names & Synonyms

  • J1.996.795F
  • (2S)-1-(Boc-L-Tyr-L-Ile-L-Gln-L-Gln-L-Ala-L-Arg-N6-Boc-L-Lys-L-Ala-L-Pro-L-Ser-Gly-L-Arg-L-Met-L-Ser-L-Ile-L-Val-N6-Boc-L-Lys-L-Asn-L-Leu-L-Gln-L-Asn-L-Leu-L-Asp-)Pyrrolidine-2-carbothioic acid S-(3-ethoxy-3-oxopropyl) ester
  • (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-{[(tert-butoxy)carbonyl]amino}-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-{[(tert-butoxy)carbonyl]amino}-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]propanamido]-5-carbamimidamidopentanamido]hexanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanamido]-3-hydroxypropanamido]-3-methylpentanamido]-3-methylbutanamido]hexanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-4-[(2S)-2-{[(3-ethoxy-3-oxopropyl)sulfanyl]carbonyl}pyrrolidin-1-yl]-4-oxobutanoic acid