Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Betabellin 15S
RN: 212060-04-3
InChIKey: CIJIYYUPHDTAEA-KCSOCFOISA-N

Molecular Formula

  • C162-H256-N42-O43-S

Molecular Weight

  • 3512.1214
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Betabellin 15S

Synonym

  • Betabellin-15S

Systematic Name

  • L-Histidine, L-histidyl-L-seryl-L-leucyl-L-threonyl-L-alanyl-L-lysyl-L-isoleucyl-D-prolyl-D-lysyl-L-leucyl-L-threonyl-L-phenylalanyl-L-seryl-L-isoleucyl-L-alanyl-D-prolyl-D-histidyl-L-threonyl-L-tyrosyl-L-threonyl-L-cysteinyl-L-alanyl-L-valyl-D-prolyl-D-lysyl-L-tyrosyl-L-threonyl-L-alanyl-L-lysyl-L-valyl-L-seryl-

Registry Numbers

CAS Registry Number

  • 212060-04-3

System Generated Number

  • 0212060043

Structure Descriptors

InChI

1S/C162H256N42O43S/c1-22-84(11)124(195-147(231)117(75-207)190-139(223)110(64-95-38-25-24-26-39-95)186-156(240)128(92(19)210)199-140(224)108(62-80(3)4)182-135(219)104(40-27-31-55-163)180-150(234)121-46-37-61-204(121)161(245)125(85(12)23-2)196-138(222)107(43-30-34-58-166)179-132(216)87(14)175-154(238)126(90(17)208)197-141(225)109(63-81(5)6)183-145(229)115(73-205)189-134(218)103(167)67-98-70-168-77-171-98)153(237)177-89(16)159(243)202-59-35-44-119(202)151(235)185-113(68-99-71-169-78-172-99)144(228)201-129(93(20)211)157(241)187-112(66-97-49-53-102(214)54-50-97)143(227)200-130(94(21)212)158(242)192-118(76-248)148(232)174-88(15)133(217)194-123(83(9)10)160(244)203-60-36-45-120(203)149(233)181-105(41-28-32-56-164)136(220)184-111(65-96-47-51-101(213)52-48-96)142(226)198-127(91(18)209)155(239)176-86(13)131(215)178-106(42-29-33-57-165)137(221)193-122(82(7)8)152(236)191-116(74-206)146(230)188-114(162(246)247)69-100-72-170-79-173-100/h24-26,38-39,47-54,70-72,77-94,103-130,205-214,248H,22-23,27-37,40-46,55-69,73-76,163-167H2,1-21H3,(H,168,171)(H,169,172)(H,170,173)(H,174,232)(H,175,238)(H,176,239)(H,177,237)(H,178,215)(H,179,216)(H,180,234)(H,181,233)(H,182,219)(H,183,229)(H,184,220)(H,185,235)(H,186,240)(H,187,241)(H,188,230)(H,189,218)(H,190,223)(H,191,236)(H,192,242)(H,193,221)(H,194,217)(H,195,231)(H,196,222)(H,197,225)(H,198,226)(H,199,224)(H,200,227)(H,201,228)(H,246,247)/t84-,85-,86-,87-,88-,89-,90+,91+,92+,93+,94+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-/m0/s1

InChIKey

CIJIYYUPHDTAEA-KCSOCFOISA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3cnc[nH]3)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc5cnc[nH]5)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc6ccc(O)cc6)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc8ccc(O)cc8)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc9cnc[nH]9)C(=O)O