Bleomycinamide, N1-[4-[(aminoiminomethyl)amino]butyl]-, sulfate (1:1) (salt)
CAS Registry Number®
CAS Name
Bleomycinamide, N1-[4-[(aminoiminomethyl)amino]butyl]-, sulfate (1:1) (salt)Molecular Formula
C55H84N20O21S2.H2O4SCite this Page
Bleomycinamide, N1-[4-[(aminoiminomethyl)amino]butyl]-, sulfate (1:1) (salt). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=51773-86-5 (retrieved ) (CAS RN: 51773-86-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C55H84N20O21S2.H2O4S/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61;1-5(2,3)4/h13,16-18,20-24,28-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66);(H2,1,2,3,4)/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-;/m0./s1
InChIKey
InChIKey=CIRWIMDKXPKOMA-WEJIAYKGSA-N
SMILES
[C@H]([C@H](NC(=O)C1=NC([C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)=NC(N)=C1C)C(N[C@@H]([C@H]([C@@H](C(N[C@H](C(NCCC2=NC(=CS2)C3=NC(C(NCCCCNC(=N)N)=O)=CS3)=O)[C@@H](C)O)=O)C)O)C)=O)(O[C@H]4[C@@H](O[C@@H]5[C@@H](O)[C@@H](OC(N)=O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@H](CO)O4)C6=CN=CN6.S(=O)(=O)(O)O
Canonical SMILES
O=C(OC1C(O)C(OC(CO)C1O)OC2C(OC(C3=CN=CN3)C(NC(=O)C4=NC(=NC(N)=C4C)C(NCC(N)C(=O)N)CC(=O)N)C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCCNC(=N)N)C(O)C)C)OC(CO)C(O)C2O)N.O=S(=O)(O)O
Other Names for this Substance
- Bleomycinamide, N1-[4-[(aminoiminomethyl)amino]butyl]-, sulfate (1:1) (salt)
