Vitas-M small molecule compound

N,O-bis(tert-butoxycarbonyl)-D-tyrosyl-L-alanylglycyl-D-phenylalanyl-D-leucyl-L-arginine

Catalog ID
STL525338
SMILES CC(C[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C45H67N9O12 MW 926.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H67N9O12/c1-26(2)22-32(38(58)52-31(40(60)61)16-13-21-48-41(46)47)53-39(59)33(23-28-14-11-10-12-15-28)51-35(55)25-49-36(56)27(3)50-37(57)34(54-42(62)65-44(4,5)6)24-29-17-19-30(20-18-29)64-43(63)66-45(7,8)9/h10-12,14-15,17-20,26-27,31-34H,13,16,
InChIKey
MCTUNGYTWOYEHI-XFESCXPASA-N
Synonyms
313360-88-2
(2~(S))5(diaminomethylideneamino)2(((2~(R))4methyl2(((2~(R))2((2(((2~(S))2(((2~(R))2((2methylpropan2yl)oxycarbonylamino)3(4((2methylpropan2yl)oxycarbonyloxy)phenyl)propanoyl)amino)propanoyl)amino)acetyl)amino)3phenylpropanoyl)amino)pentanoyl)amino)pe
(6R9S15R18R21S)15benzyl6(4((tertbutoxycarbonyl)oxy)benzyl)21(3guanidinopropyl)18isobutyl229trimethyl4710131619hexaoxo3oxa5811141720hexaazadocosan22oicacid
16395223
313360882
CC(C(C@H)(C(=O)N(C@H)(C(=O)O)CCCNC(=N)N)NC(=O)(C@@H)(Cc1ccccc1)NC(=O)CNC(=O)(C@@H)(NC(=O)(C@@H)(Cc1ccc(cc1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C)C
InChI=1SC45H67N9O12c126(2)2232(38(58)5231(40(60)61)1613214841(46)47)5339(59)33(2328141110121528)5135(55)254936(56)27(3)5037(57)34(5442(62)6544(45)6)2429171930(201829)6443(63)6645(78)9h10121415172026273134H13162125H219H3(H4956)(H5057)(H5155)(H5258)(H5
MFCD01084225
NObis(tertbutoxycarbonyl)DtyrosylLalanylglycylDphenylalanylDleucylLarginine
ZINC000196037594
ZINC196037594

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Available files

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