Details of vitri A
| IUPAC | (1R,6R,9S,15S,21S,24S,27S,30R,33S,36S,39S,42S,45R,50R,53S,56S,59S,65S,68R,71S,74S,77S,80S,83S,91S)-50-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-36,42-bis(4-aminobutyl)-21-(2-amino-2-oxoethyl)-15,59,71,83-tetrakis[(2S)-butan-2-yl]-24-(3-carbamimidamidopropyl)-74-[(1R)-1-hydroxyethyl]-39,77,91-tris(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-56-(1H-indol-3-ylmethyl)-80-methyl-8,14,17,20,23,26,29,32,35,38,41,44,51,54,57,60,66,69,72,75,78,81,84,87,89,92-hexacosaoxo-33,53-di(propan-2-yl)-3,4,47,48,95,96-hexathia-7,13,16,19,22,25,28,31,34,37,40,43,52,55,58,61,67,70,73,76,79,82,85,88,90,93-hexacosazapentacyclo[43.43.5.430,68.09,13.061,65]heptanonacontane-6-carboxylic acid |
| Canonical Smiles | CCC(C)C1C(=O)NCC(=O)NC2CSSCC(NC(=O)C3CCCN3C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C)CO)C(C)O)C(C)CC)NC(=O)C5CCCN5C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)C(C)C)CCCCN)CO)CCCCN)NC(=O)C(NC2=O)CO)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CN)C(C)C)CC6=CNC7=CC=CC=C76)C(C)CC)CC8=CC=C(C=C8)O)CCCNC(=N)N)CC(=O)N)C(C)CC)C(=O)O |
| Inchi | YULKMYVXBQKDFK-PWPBMSJASA-N |
| PubChem ID | 44575574 |
| Smiles | CCC(C)C1NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C2CSSCC3NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CSSCC(NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)CN)C(=O)NC(C(C)C)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(C(C)CC)C(=O)N4CCCC4C(=O)N2)NC(=O)C(CO)NC(=O)C(CSSCC(C(=O)O)NC(=O)C2CCCN2C(=O)C(C(C)CC)NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc2ccc(O)cc2)NC3=O)NC(=O)CNC1=O |
| Class | |
| Super Class | |
| Pathways |