For research use only. Not for therapeutic Use.
| CAS Number | 150238-87-2 |
| Molecular Formula | C112H178N36O27 |
| Purity | ≥95% |
| Storage | 2-8°C |
| IUPAC Name | (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C112H178N36O27/c1-57(2)46-77(102(168)147-85(56-150)107(173)132-70(90(118)156)35-23-43-125-110(119)120)139-92(158)61(8)130-100(166)80(49-64-53-128-68-30-15-13-28-66(64)68)142-97(163)73(34-19-22-42-115)136-105(171)82(51-86(117)151)144-104(170)81(50-65-54-129-69-31-16-14-29-67(65)69)143-96(162)72(33-18-21-41-114)135-94(160)71(32-17-20-40-113)134-95(161)75(37-25-45-127-112(123)124)137-103(169)79(48-63-26-11-10-12-27-63)141-99(165)76(38-39-87(152)153)138-108(174)84(55-149)146-93(159)62(9)131-109(175)89(59(5)6)148-106(172)83(52-88(154)155)145-101(167)78(47-58(3)4)140-98(164)74(133-91(157)60(7)116)36-24-44-126-111(121)122/h10-16,26-31,53-54,57-62,70-85,89,128-129,149-150H,17-25,32-52,55-56,113-116H2,1-9H3,(H2,117,151)(H2,118,156)(H,130,166)(H,131,175)(H,132,173)(H,133,157)(H,134,161)(H,135,160)(H,136,171)(H,137,169)(H,138,174)(H,139,158)(H,140,164)(H,141,165)(H,142,163)(H,143,162)(H,144,170)(H,145,167)(H,146,159)(H,147,168)(H,148,172)(H,152,153)(H,154,155)(H4,119,120,125)(H4,121,122,126)(H4,123,124,127)/t60-,61-,62-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,89-/m0/s1 |
| InChIKey | PIRWNASAJNPKHT-SHZATDIYSA-N |
| SMILES | C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)N |
| Sequence | Ala-Arg-Leu-Asp-Val-Ala-Ser-Glu-Phe-Arg-Lys-Lys-Trp-Asn-Lys-Trp-Ala-Leu-Ser-Arg-NH2 |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
