N-(9-Methyldecanoyl)-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31S)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-6-(2-carboxyethyl)-15,21-bis(carboxymethyl)-9-(hydroxymethyl)- 18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-α-asparagine

More details:

• Systematic name

  N-(9-Methyldecanoyl)-L-tryptophyl-D-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31S)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-6-(2-carboxyethyl)-15,21-bis(carboxymethyl)-9-(hydroxymethyl)- 18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]-L-alpha-asparagine

• SMILES

  C[C@H]1[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)CC(=O)c2ccccc2N)CCC(=O)O)CO)CC(=O)O)C)CC(=O)O)CCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)CCCCCCCC(C)C

• Std. InChi

  InChI=1S/C72H101N17O26/c1-35(2)15-8-6-5-7-9-21-54(93)81-45(25-38-31-76-42-19-13-11-16-39(38)42)67(109)85-46(27-53(75)92)68(110)87-49(30-60(102)103)69(111)89-61-37(4)115-72(114)50(26-52(91)40-17-10-12-18-41(40)74)88-65(107)44(22-23-57(96)97)83-70(112)51(34-90)82-56(95)32-77-63(105)47(28-58(98)99)84-62(104)36(3)79-66(108)48(29-59(100)101)86-64(106)43(20-14-24-73)80-55(94)33-78-71(61)113/h10-13,16-19,31,35-37,43-51,61,76,90H,5-9,14-15,20-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,113)(H,79,108)(H,80,94)(H,81,93)(H,82,95)(H,83,112)(H,84,104)(H,85,109)(H,86,106)(H,87,110)(H,88,107)(H,89,111)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t36-,37+,43+,44+,45+,46-,47+,48+,49+,50+,51-,61+/m1/s1

• Std. InChIKey

  MGYRKYONEBDAQV-MUZZUTNSSA-N

• Cite this record

  CSID:26354895, http://www.chemspider.com/Chemical-Structure.26354895.html (accessed 01:18, May 7, 2024)