2-[(9Z)-18,21-Bis(2-Aminoethyl)-3-(2-Chloro-1-Hydroxyethyl)-15-[3-(Diaminomethylideneamino)Propyl]-24-(Hydroxymethyl)-27-(3-Hydroxyundecanoylamino)-2,5,8,11,14,17,20,23,26-Nonaoxo-12-(Phenylmethyl)-9-Propylidene-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-6-Yl]-2-Hydroxyacetic Acid
[CAS# 124888-22-8]

Identification

• Name: 2-[(9Z)-18,21-Bis(2-Aminoethyl)-3-(2-Chloro-1-Hydroxyethyl)-15-[3-(Diaminomethylideneamino)Propyl]-24-(Hydroxymethyl)-27-(3-Hydroxyundecanoylamino)-2,5,8,11,14,17,20,23,26-Nonaoxo-12-(Phenylmethyl)-9-Propylidene-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-6-Yl]-2-Hydroxyacetic Acid
• Synonyms: 2-[(9Z)-18,21-Bis(2-Aminoethyl)-3-(2-Chloro-1-Hydroxy-Ethyl)-15-(3-Guanidinopropyl)-24-(Hydroxymethyl)-27-(3-Hydroxyundecanoylamino)-2,5,8,11,14,17,20,23,26-Nonaoxo-12-(Phenylmethyl)-9-Propylidene-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-6-Yl]-2-Hydroxy-Acetic Acid; 2-[(9Z)-18,21-Bis(2-Aminoethyl)-3-(2-Chloro-1-Hydroxyethyl)-15-(3-Guanidinopropyl)-24-(Hydroxymethyl)-27-[(3-Hydroxy-1-Oxoundecyl)Amino]-2,5,8,11,14,17,20,23,26-Nonaoxo-12-(Phenylmethyl)-9-Propylidene-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-6-Yl]-2-Hydroxyacetic Acid; 2-[(9Z)-18,21-Bis(2-Aminoethyl)-12-(Benzyl)-3-(2-Chloro-1-Hydroxy-Ethyl)-15-(3-Guanidinopropyl)-27-(3-Hydroxyundecanoylamino)-2,5,8,11,14,17,20,23,26-Nonaketo-24-Methylol-9-Propylidene-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-6-Yl]-2-Hydroxy-Acetic Acid
• Molecular Formula: C₅₃H₈₅ClN₁₄O₁₇
• Molecular Weight: 1225.79
• CAS Registry Number: 124888-22-8
• SMILES: C2=C(CC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC(O)CCCCCCCC)COC(=O)C(NC(=O)C(NC(=O)\C(NC1=O)=C\CC)C(O)C(O)=O)C(O)CCl)CO)CCN)CCN)CCCN=C(N)N)C=CC=C2
• InChI: 1S/C53H85ClN14O17/c1-3-5-6-7-8-12-17-30(70)25-39(72)60-37-28-85-52(84)40(38(71)26-54)67-50(81)41(42(73)51(82)83)68-46(77)31(14-4-2)61-47(78)35(24-29-15-10-9-11-16-29)65-43(74)32(18-13-23-59-53(57)58)62-44(75)33(19-21-55)63-45(76)34(20-22-56)64-48(79)36(27-69)66-49(37)80/h9-11,14-16,30,32-38,40-42,69-71,73H,3-8,12-13,17-28,55-56H2,1-2H3,(H,60,72)(H,61,78)(H,62,75)(H,63,76)(H,64,79)(H,65,74)(H,66,80)(H,67,81)(H,68,77)(H,82,83)(H4,57,58,59)/b31-14-
• InChIKey: YMFYPHGOLKNWQN-AQLQTECXSA-N