L-Cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginylglycylglycyl-L-Lysine cyclic (1->6)-disulfide
[CAS# 148440-73-7]

Identification

• Name: L-Cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-arginylglycylglycyl-L-Lysine cyclic (1->6)-disulfide
• Synonyms: 1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]car bonyl}-L-prolyl-L-arginylglycylglycyl-L-lysin; 1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]car bonyl}-L-prolyl-L-arginylglycylglycyl-L-lysine; 1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-amino-2-oxoéthyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]car bonyl}-L-prolyl-L-arginylglycylglycyl-L-lysine
• Molecular Formula: C₅₁H₈₁N₁₇O₁₅S₂
• Molecular Weight: 1236.42
• CAS Registry Number: 148440-73-7
• SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)CC(=O)N)CCC(=O)N
• InChI: 1S/C51H81N17O15S2/c1-3-26(2)41-48(80)63-31(15-16-37(54)70)44(76)65-34(21-38(55)71)45(77)66-35(25-85-84-24-29(53)42(74)64-33(46(78)67-41)20-27-11-13-28(69)14-12-27)49(81)68-19-7-10-36(68)47(79)62-30(9-6-18-58-51(56)57)43(75)60-22-39(72)59-23-40(73)61-32(50(82)83)8-4-5-17-52/h11-14,26,29-36,41,69H,3-10,15-25,52-53H2,1-2H3,(H2,54,70)(H2,55,71)(H,59,72)(H,60,75)(H,61,73)(H,62,79)(H,63,80)(H,64,74)(H,65,76)(H,66,77)(H,67,78)(H,82,83)(H4,56,57,58)/t26-,29-,30-,31-,32-,33-,34-,35-,36-,41-/m0/s1
• InChIKey: YWRWVVYMJJBIRH-IWZJHKITSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Refractive index: 1.698 (Cal.)