Chemical Compound

MFCD00167520

CAS Registry Number 21215-62-3

Primary Record

Compound Identifiers & Properties

CAS: 21215-62-3
PubChem CID: 176450891
SMILES: CCC(C)C(C(=NCC(=NC(C(C)C)C(=NCC(=NC(C)C(=O)N1CCCC1C(=N)O)O)O)O)O)N=C(C(C)N=C(C(C(C)O)N=C(C(CCC(=N)O)N=C(C2CCCN2C(=O)C(CC3=CC=CC=C3)N=C(C(C(C)O)N=C(C(CC4=CN=CN4)N=C(C(CC5=CC=CC=C5)N=C(C(CCCCN)N=C(C(CC(=N)O)N=C(C(CC6=CC=CC=C6)N=C(C(CC(=O)O)N=C(C(CCC(=N)O)N=C(C(C(C)O)N=C(C(CC7=CC=C(C=C7)O)N=C(C(C(C)O)N=C(CN=C(C(CC(C)C)N=C(C(CCSC)N=C(C8CSSCC(C(=NCC(=NC(C(=NC(C(=NC(C(=NC(C(=N8)O)C(C)O)O)CO)O)CC(C)C)O)CC(=N)O)O)O)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
Canonical SMILES: CCC(C)C(N=C(O)C(C)N=C(O)C(N=C(O)C(CCC(=N)O)N=C(O)C1CCCN1C(=O)C(Cc1ccccc1)N=C(O)C(N=C(O)C(Cc1cnc[nH]1)N=C(O)C(Cc1ccccc1)N=C(O)C(CCCCN)N=C(O)C(CC(=N)O)N=C(O)C(Cc1ccccc1)N=C(O)C(CC(=O)O)N=C(O)C(CCC(=N)O)N=C(O)C(N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(N=C(O)CN=C(O)C(CC(C)C)N=C(O)C(CCSC)N=C(O)C1CSSCC(N)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CC(C)C)C(O)=NC(CO)C(O)=NC(C(C)O)C(O)=N1)C(C)O)C(C)O)C(C)O)C(C)O)C(O)=NCC(O)=NC(C(O)=NCC(O)=NC(C)C(=O)N1CCCC1C(=N)O)C(C)C

MFCD00167520
C151H226N40O45S3
21215-62-3
4-[[2-[[3-amino-1-[[5-amino-1-[[2-[[2-[[1-[[2-[2-[[4-amino-1-[[1-[[2-[[1-[[2-[[1-[[2-[[2-(2-carbamoylpyrrolidin-1-yl)-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-3-oxo-propyl]amino]-1-benzyl-2-oxo-ethyl]amino]-3-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[22-amino-16-(2-amino-2-oxo-ethyl)-7-(1-hydroxyethyl)-10-(hydroxymethyl)-13-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoy