(2S)-2-({[(2S,3aS,7aS)-1-({(3S)-2-[(2S)-2-{[(2S)-2-{[({[(2R,4R)-1-{[(2R)-1-{(2S)-2-({(2R)-2-Amino-5-[(diaminomethylene)amino]pentanoyl}amino)-5-[(diaminomethylene)amino]pentanoyl}-2-pyrrolidinyl]carbo nyl}-4-hydroxy-2-pyrrolidinyl]carbonyl}amino)acetyl]amino}-3-(2-thienyl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)octahydro-1H-indol-2-yl]carbonyl}amino)-5-[(dia minomethylene)amino]pentanoic acid (non-preferred name)

More details:

• Systematic name

  (2S)-2-({[(2S,3aS,7aS)-1-({(3S)-2-[(2S)-2-{[(2S)-2-{[({[(2R,4R)-1-{[(2R)-1-{(2S)-2-({(2R)-2-Amino-5-[(diaminomethylene)amino]pentanoyl}amino)-5-[(diaminomethylene)amino]pentanoyl}-2-pyrrolidinyl]carbo nyl}-4-hydroxy-2-pyrrolidinyl]carbonyl}amino)acetyl]amino}-3-(2-thienyl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydro-3-isoquinolinyl}carbonyl)octahydro-1H-indol-2-yl]carbonyl}amino)-5-[(dia minomethylene)amino]pentanoic acid (non-preferred name)

• SMILES

  N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N1C[C@H](O)C[C@@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CS1)C(=O)N[C@@H](CO)C(=O)N1CC2C=CC=CC=2C[C@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O

• Std. InChi

  InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43+,44+,45-,46-/m0/s1

• Std. InChIKey

  QURWXBZNHXJZBE-LJETZHMNSA-N

• Cite this record

  CSID:82963459, http://www.chemspider.com/Chemical-Structure.82963459.html (accessed 07:35, May 1, 2024)