(2S)-2-[[(2S)-1-[(4R,7S,10S,13R)-13-Amino-7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-6,9,12-Trioxo1,2-Dithia-5,8,11-Triazacyclotetradecane-4-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
[CAS# 133761-86-1]

Identification

• Name: (2S)-2-[[(2S)-1-[(4R,7S,10S,13R)-13-Amino-7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-6,9,12-Trioxo1,2-Dithia-5,8,11-Triazacyclotetradecane-4-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[(4R,7S,10S,13R)-13-Amino-7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-6,9,12-Trioxo-1,2-Dithia-5,8,11-Triazacyclotetradecane-4-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[[(2S)-1-[[(4R,7S,10S,13R)-13-Amino-7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-6,9,12-Trioxo-1,2-Dithia-5,8,11-Triazacyclotetradec-4-Yl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-1-[(4R,7S,10S,13R)-13-Amino-7-(2-Amino-2-Keto-Ethyl)-10-(3-Amino-3-Keto-Propyl)-6,9,12-Triketo-1,2-Dithia-5,8,11-Triazacyclotetradecane-4-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₂₆H₄₃N₁₁O₉S₂
• Molecular Weight: 717.81
• CAS Registry Number: 133761-86-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC2)CCC(=O)N)CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C26H43N11O9S2/c27-12-10-47-48-11-16(36-22(42)15(9-19(29)39)35-21(41)13(33-20(12)40)5-6-18(28)38)24(44)37-8-2-4-17(37)23(43)34-14(25(45)46)3-1-7-32-26(30)31/h12-17H,1-11,27H2,(H2,28,38)(H2,29,39)(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,45,46)(H4,30,31,32)/t12-,13-,14-,15-,16-,17-/m0/s1
• InChIKey: OGNSIPQZEXIWCP-UYLCUJDWSA-N