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Substance Name: Dodecandrin
RN: 95787-44-3
InChIKey: YFWVASUVAGVHAK-NFUJKEFHSA-N

Molecular Formula

  • C155-H245-N41-O53-S

Molecular Weight

  • 3562.9405
 
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Names and Synonyms

Name of Substance

  • Dodecandrin

Systematic Name

  • Dodecandrin

Registry Numbers

CAS Registry Number

  • 95787-44-3

System Generated Number

  • 0095787443

Structure Descriptors

InChI

1S/C155H245N41O53S/c1-22-72(12)117(189-148(242)119(74(14)24-3)191-150(244)121(78(18)201)193-139(233)98(61-110(161)210)181-144(238)115(162)70(8)9)146(240)182-93(56-83-39-43-85(205)44-40-83)133(227)178-97(60-109(160)209)138(232)188-116(71(10)11)145(239)166-64-111(211)169-102(65-197)142(236)194-122(79(19)202)152(246)195-123(80(20)203)151(245)190-118(73(13)23-2)147(241)187-104(67-199)140(234)179-96(59-108(159)208)136(230)175-91(55-82-37-41-84(204)42-38-82)130(224)168-76(16)125(219)192-120(77(17)200)149(243)183-92(54-81-32-26-25-27-33-81)132(226)173-89(47-51-250-21)129(223)180-99(62-113(214)215)137(231)177-95(58-107(158)207)135(229)174-90(52-68(4)5)131(225)171-87(35-30-49-165-155(163)164)127(221)176-94(57-106(157)206)134(228)172-88(45-46-112(212)213)126(220)167-75(15)124(218)170-86(34-28-29-48-156)128(222)184-100(63-114(216)217)153(247)196-50-31-36-105(196)143(237)186-103(66-198)141(235)185-101(154(248)249)53-69(6)7/h25-27,32-33,37-44,68-80,86-105,115-123,197-205H,22-24,28-31,34-36,45-67,156,162H2,1-21H3,(H2,157,206)(H2,158,207)(H2,159,208)(H2,160,209)(H2,161,210)(H,166,239)(H,167,220)(H,168,224)(H,169,211)(H,170,218)(H,171,225)(H,172,228)(H,173,226)(H,174,229)(H,175,230)(H,176,221)(H,177,231)(H,178,227)(H,179,234)(H,180,223)(H,181,238)(H,182,240)(H,183,243)(H,184,222)(H,185,235)(H,186,237)(H,187,241)(H,188,232)(H,189,242)(H,190,245)(H,191,244)(H,192,219)(H,193,233)(H,194,236)(H,195,246)(H,212,213)(H,214,215)(H,216,217)(H,248,249)(H4,163,164,165)/t72-,73-,74-,75-,76-,77+,78+,79+,80+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,115-,116-,117-,118-,119-,120-,121-,122-,123-/m0/s1

InChIKey

YFWVASUVAGVHAK-NFUJKEFHSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)N