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Cyclo(L-asparaginyl-L-glutaminyl-L-tyrosyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-phenylalanyl-D-phenylalanyl) (1481-70-5)

Identification
Name:Cyclo(L-asparaginyl-L-glutaminyl-L-tyrosyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-phenylalanyl-D-phenylalanyl)
Synonyms:TyrocidineA (7CI,8CI); Pyrrolo[1,2-a][1,4,7,10,13,16,19,22,25,28]decaazacyclotriacontine,cyclic peptide deriv.;Cyclo(L-phenylalanyl-D-phenylalanyl-L-asparaginyl-L-glutaminyl-L-tyrosyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl);Streptocidin O; Tyrocidin A
CAS:1481-70-5
Molecular Formula: C66H87 N13 O13
Molecular Weight: 1307.12
InChI: InChI=1S/C66H87N13O13/c1-39(2)32-50(62(88)77-53(36-43-20-12-7-13-21-43)66(92)79-31-15-23-54(79)64(90)76-51(34-42-18-10-6-11-19-42)61(87)71-45(38-80)33-41-16-8-5-9-17-41)74-59(85)48(22-14-30-67)73-65(91)57(40(3)4)78-63(89)52(35-44-24-26-46(81)27-25-44)75-60(86)49(28-29-55(69)82)72-58(84)47(68)37-56(70)83/h5-13,16-21,24-27,38-39,45,47-54,57,81H,3,14-15,22-23,28-37,67-68H2,1-2,4H3,(H2,69,82)(H2,70,83)(H,71,87)(H,72,84)(H,73,91)(H,74,85)(H,75,86)(H,76,90)(H,77,88)(H,78,89)/t45-,47+,48+,49+,50+,51+,52+,53-,54+,57+/m1/s1
Molecular Structure: (C66H87N13O13) TyrocidineA (7CI,8CI); Pyrrolo[1,2-a][1,4,7,10,13,16,19,22,25,28]decaazacyclotriacontine,cyclic pept...
Properties
Specification:

Descriptors computed from structure, you can know some information about Tyrocidine A (CAS NO.1481-70-5) :
Canonical SMILES: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C=O)NC(=O)C(CCCN)NC(=O)C(C(=C)C)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N
Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@H](CC4=CC=CC=C4)C=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(=C)C)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)N
InChI: InChI=1S/C66H87N13O13/c1-39(2)32-50(62(88)77-53(36-43-20-12-7-13-21-43)66(92)79-31-15-23-54(79)64(90)76-51(34-42-18-10-6-11-19-42)61(87)71-45(38-80)33-41-16-8-5-9-17-41)74-59(85)48(22-14-30-67)73-65(91)57(40(3)4)78-63(89)52(35-44-24-26-46(81)27-25-44)75-60(86)49(28-29-55(69)82)72-58(84)47(68)37-56(70)83/h5-13,16-21,24-27,38-39,45,47-54,57,81H,3,14-15,22-23,28-37,67-68H2,1-2,4H3,(H2,69,82)(H2,70,83)(H,71,87)(H,72,84)(H,73,91)(H,74,85)(H,75,86)(H,76,90)(H,77,88)(H,78,89)/t45-,47+,48+,49+,50+,51+,52+,53-,54+,57+/m1/s1
InChIKey: RNYCIGPDZRCZCZ-RGCPQTOTSA-N

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