Primary Record
J2.686.644H
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 177469789
- SMILES
- CC1C(C(=O)N(C(C(=O)N[C@@H](C(=O)N[C@H](C(=O)NC(C(=O)N(CC(=O)O1)C)CC(=O)N)[C@@H](C)OC(C)(C)C)CC2=CC=CC=C2)CCC(=O)N)C)NC(=O)[C@H](CSCNC(=O)C)NC(=O)[C@H](CCCN/C(=N/S(=O)(=O)C3=C(C4=C(C(=C3C)C)OC(CC4)(C)C)C)/N)NC(=O)[C@@H](CC5=CN(C6=CC=CC=C65)C(=O)OC(C)(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=C(C=C8)Br)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
- Canonical SMILES
- CC(=O)NCSC[C@H](NC(=O)[C@H](CCCN/C(N)=N/S(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)NC(=O)[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)C(C)C)C(C)C)C(=O)NC1C(=O)N(C)C(CCC(N)=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)NC(CC(N)=O)C(=O)N(C)CC(=O)OC1C
Names & Synonyms
- J2.686.644H
- (2R,3S,6S,9R,12S,15S)-2,5,17-Trimethyl-3-[[Boc-D-Ala-4-bromo-L-Phe-L-Pro-D-Val-L-Val-1-Boc-D-Trp-omega -(2,2,5,7,8-pentamethylchroman-6-ylsulfonyl)-L-Arg-S-Acm-L-Cys-]amino]-6-(3-amino-3-oxopropyl)-9-benzyl-12-[(R)-1-(tert-butyloxy)ethyl]-15-(carbamoylmethyl)-1-oxa-5,8,11,14,17-pentaazacyclononadecane-4,7,10,13,16,19-hexaone
- tert-butyl 3-[(2R)-2-{[(1S)-1-{[(1R)-1-{[(6S,9S,12R,15S,18S)-12-benzyl-9-[(1R)-1-(tert-butoxy)ethyl]-15-(2-carbamoylethyl)-6-(carbamoylmethyl)-4,16,19-trimethyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-2-[(acetamidomethyl)sulfanyl]ethyl]carbamoyl}-4-{N''-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonyl]carbamimidamido}butyl]carbamoyl}-2-[(2S)-2-[(2R)-2-{[(2S)-1-[(2S)-3-(4-bromophenyl)-2-[(2R)-2-{[(tert-butoxy)carbonyl]amino}propanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-methylbutanamido]ethyl]-1H-indole-1-carboxylate