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Substance Name: Benzeneacetic acid, 4-(aminocarbonyl)-alpha,alpha-bis((4-(carboxybis((4-(carboxycarbonyl)benzoyl)amino)methyl)benzoyl)amino)-
RN: 158681-12-0
InChIKey: WPMWPOBCSSFBNA-UHFFFAOYSA-N

Molecular Formula

  • C63-H43-N7-O25

Molecular Weight

  • 1298.0567
 
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Names and Synonyms

  • Benzeneacetic acid, 4-(aminocarbonyl)-alpha,alpha-bis((4-(carboxybis((4-(carboxycarbonyl)benzoyl)amino)methyl)benzoyl)amino)-

Registry Numbers

CAS Registry Number

  • 158681-12-0

System Generated Number

  • 0158681120

Structure Descriptors

InChI

1S/C63H43N7O25/c64-47(75)33-17-23-40(24-18-33)61(58(90)91,69-52(80)38-19-25-41(26-20-38)62(59(92)93,65-48(76)34-9-1-29(2-10-34)43(71)54(82)83)66-49(77)35-11-3-30(4-12-35)44(72)55(84)85)70-53(81)39-21-27-42(28-22-39)63(60(94)95,67-50(78)36-13-5-31(6-14-36)45(73)56(86)87)68-51(79)37-15-7-32(8-16-37)46(74)57(88)89/h1-28H,(H2,64,75)(H,65,76)(H,66,77)(H,67,78)(H,68,79)(H,69,80)(H,70,81)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)

InChIKey

WPMWPOBCSSFBNA-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)C(=O)O)C(=O)NC(c2ccc(cc2)C(=O)NC(c3ccc(cc3)C(=O)N)(C(=O)O)NC(=O)c4ccc(cc4)C(C(=O)O)(NC(=O)c5ccc(cc5)C(=O)C(=O)O)NC(=O)c6ccc(cc6)C(=O)C(=O)O)(C(=O)O)NC(=O)c7ccc(cc7)C(=O)C(=O)O