Primary Record
MFCD08704802
- In stock
- 3,485 g
- Purity
- 99.1 %
- CAS
- 114471-18-0
Compound Identifiers & Properties
- CAS
- 114471-18-0
- PubChem CID
- 176450382
- SMILES
- CCC(C)C(C(=NC(CCCNC(=N)N)C(=NC(CC(=O)O)C(=NC(CCSC)C(=NC(CCCCN)C(=NC(CCCCN)C(=NC(C(C)C)C(=NC(CC(C)C)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(CC1=CN=CN1)C(=O)O)O)O)O)O)O)O)O)O)O)O)N=C(C(CO)N=C(C(CO)N=C(C(CO)N=C(C(CO)N=C(CN=C(C(CC(C)C)N=C(CN=C(C2CSSCC(C(=NC(C(=NCC(=NC(C(=N2)O)CCCNC(=N)N)O)O)CC3=CC=CC=C3)O)N=C(CN=C(C(CO)N=C(CN=C(C(CCC(=N)O)N=C(C(C(C)C)N=C(C(CCSC)N=C(C(CCCCN)N=C(C4CCCN4C(=O)C(CO)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O.CC(=O)O
- Canonical SMILES
- CC(=O)O.CCC(C)C(N=C(O)C(CO)N=C(O)C(CO)N=C(O)C(CO)N=C(O)C(CO)N=C(O)CN=C(O)C(CC(C)C)N=C(O)CN=C(O)C1CSSCC(N=C(O)CN=C(O)C(CO)N=C(O)CN=C(O)C(CCC(=N)O)N=C(O)C(N=C(O)C(CCSC)N=C(O)C(CCCCN)N=C(O)C2CCCN2C(=O)C(N)CO)C(C)C)C(O)=NC(Cc2ccccc2)C(O)=NCC(O)=NC(CCCNC(=N)N)C(O)=N1)C(O)=NC(CCCNC(=N)N)C(O)=NC(CC(=O)O)C(O)=NC(CCSC)C(O)=NC(CCCCN)C(O)=NC(CCCCN)C(O)=NC(C(O)=NC(CC(C)C)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=NC(Cc1cnc[nH]1)C(=O)O)C(C)C
Names & Synonyms
- MFCD08704802
- C145H248N50O44S4
- 114471-18-0
- acetic acid;3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[16-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[6-amino-2-[[1-(2-amino-3-hydroxy-propanoyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-13-benzyl-7-(3-guanidinopropyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carbonyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-[[1-[[5-amino-1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-3-methylsulfanyl-pro