CAS RN 1313027-43-8
CAS RN 1313027-43-8
IUPAC Name:
14-[2-(6-amino-2-{[14-amino-3,17-bis({3-[(diaminomethylidene)amino]propyl})-6-(2-methylpropyl)-1,4,7,15,18-pentaoxo-icosahydropyrrolo[2,1-m]1,2-dithia-5,8,11,14,17-pentaazacycloicosan-9-yl]formamido}hexanamido)-3-(1H-imidazol-5-yl)propanamido]-3,17-bis({3-[(diaminomethylidene)amino]propyl})-6-(2-methylpropyl)-1,4,7,15,18-pentaoxo-icosahydropyrrolo[2,1-m]1,2-dithia-5,8,11,14,17-pentaazacycloicosane-9-carboxylic acid
Synonyms:
14-[2-(6-amino-2-{[14-amino-3,17-bis({3-[(diaminomethylidene)amino]propyl})-6-(2-methylpropyl)-1,4,7,15,18-pentaoxo-tetradecahydro-2H-pyrrolo[2,1-m]1,2-dithia-5,8,11,14,17-pentaazacycloicosan-9-yl]formamido}hexanamido)-3-(3H-imidazol-4-yl)propanamido]-3,17-bis({3-[(diaminomethylidene)amino]propyl})-6-(2-methylpropyl)-1,4,7,15,18-pentaoxo-tetradecahydro-2H-pyrrolo[2,1-m]1,2-dithia-5,8,11,14,17-pentaazacycloicosane-9-carboxylic acid
Molecular Weight (g/mol):
1737.17
Molecular Formula:
C70H121N29O15S4
InChi Key:
BMJYNYGARUVBJU-UHFFFAOYNA-N
SMILES:
CC(C)CC1NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CSSCC(NC1=O)C(O)=O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCCCN)NC(=O)C1CSSCC(N)C(=O)NC(CCCN=C(N)N)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)N1
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CAS: 1313027-43-8 Molecular Formula: C70H121N29O15S4 Molecular Weight (g/mol): 1737.166 InChI Key: BMJYNYGARUVBJU-CSRTWURCSA-N PubChem CID: 122705991 IUPAC Name: (3S,6R,11R,14S,17S,20S)-6-[[(2S)-2-[[(2S)-6-amino-2-[[(3S,6R,11R,14S,17S,20S)-6-amino-3,17-bis[3-(diaminomethylideneamino)propyl]-14-(2-methylpropyl)-2,5,13,16,19-pentaoxo-8,9-dithia-1,4,12,15,18-pentazabicyclo[18.3.0]tricosane-11-carbonyl]amino]hexanoyl] SMILES: CC(C)CC1C(=O)NC(CSSCC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)N)C(=O)NC(CCCCN)C(=O)NC(CC3=CN=CN3)C(=O)NC4CSSCC(NC(=O)C(NC(=O)C(NC(=O)C5CCCN5C(=O)C(NC4=O)CCCN=C(N)N)CCCN=C(N)N)CC(C)C)C(=O)O