Hydrin 1
[CAS# 122842-47-1]

Identification

• Name: Hydrin 1
• Synonyms: (2S)-2-[[(2S)-6-Amino-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,16S,19R)-19-Amino-7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]Acetyl]Amino]Hexanoyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-6-Amino-2-[[2-[[2-[[(2S)-2-[[[(2S)-1-[[(4R,7S,10S,16S,19R)-19-Amino-7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicos-4-Yl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-1-Oxoethyl]Amino]-1-Oxohexyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-6-Amino-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,16S,19R)-19-Amino-7-(2-Amino-2-Keto-Ethyl)-10-(3-Amino-3-Keto-Propyl)-16-(4-Hydroxybenzyl)-6,9,12,15,18-Pentaketo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoyl]Amino]Acetyl]Amino]Acetyl]Amino]Hexanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₅₇H₉₃N₂₁O₁₆S₂
• Molecular Weight: 1392.61
• CAS Registry Number: 122842-47-1
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC2)CC3=CC=C(O)C=C3)[C@H](CC)C)CCC(=O)N)CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C57H93N21O16S2/c1-3-29(2)45-53(91)72-35(17-18-41(60)80)49(87)75-38(24-42(61)81)50(88)76-39(28-96-95-27-32(59)46(84)74-37(51(89)77-45)23-30-13-15-31(79)16-14-30)54(92)78-22-8-12-40(78)52(90)71-33(10-6-20-66-56(62)63)47(85)69-25-43(82)68-26-44(83)70-34(9-4-5-19-58)48(86)73-36(55(93)94)11-7-21-67-57(64)65/h13-16,29,32-40,45,79H,3-12,17-28,58-59H2,1-2H3,(H2,60,80)(H2,61,81)(H,68,82)(H,69,85)(H,70,83)(H,71,90)(H,72,91)(H,73,86)(H,74,84)(H,75,87)(H,76,88)(H,77,89)(H,93,94)(H4,62,63,66)(H4,64,65,67)/t29-,32-,33-,34-,35-,36-,37-,38-,39-,40-,45?/m0/s1
• InChIKey: BJRAYGWQMPNTHC-CAOVDFMNSA-N