PDB Chemical Component DMY

Ideal Model

Chemical Description

Name DISTAMYCIN A
Synonyms DISTAMYCIN; STALLIMYCIN
Formula C22 H27 N9 O4
Formal charge 0
Molecular weight 481.508 g/mol
Component type NON-POLYMER

Chemical features

Atom count 62
Chiral atom count 0
Bond count 64
Aromatic bond count 15

Chemical Identifiers

Systematic name (ACDLabs) N-[5-({5-[(3-amino-3-iminopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-4-(formylamino)-1-methyl-1H-pyrrole-2-carboxamide
Systematic name (OpenEye OEToolkits) N-[5-[[5-[(3-amino-3-imino-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-pyrrole-2-carboxamide

Chemical Descriptors

Stereo SMILES (CACTVS) Cn1cc(NC=O)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)NCCC(N)=N
SMILES (CACTVS) Cn1cc(NC=O)cc1C(=O)Nc2cn(C)c(c2)C(=O)Nc3cn(C)c(c3)C(=O)NCCC(N)=N
Stereo SMILES (OpenEye) Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc(n(c3)C)C(=O)NCCC(=N)N)NC=O
InChI descriptor InChI=1/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)/f/h23,25-28H,24H2/b23-19-
InChIKey descriptor UPBAOYRENQEPJO-ITSSEUGADX

Status Information

Last modified 2008-10-14
Created 1999-07-08
Release status REL
Model PDB code 217D
Processing site RCSB